 Entering Gaussian System, Link 0=g16
 Input=21_phenylethanol_conformer02_STD_M11_def2SVPD.in
 Output=21_phenylethanol_conformer02_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/Gau-30667.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     30669.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=21_phenylethanol_conformer02_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 11:07:35 2021, MaxMem=  5637144576 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "21_phenylethanol_conformer02_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                -2.283987000000      1.156120000000     -0.373456000000
  C                                                -1.655795000000     -0.121273000000     -0.366360000000
  H                                                -2.318612000000      1.484471000000      0.532599000000
  H                                                -1.860649000000     -0.525090000000     -1.361656000000
  C                                                -2.302509000000     -1.029603000000      0.677627000000
  C                                                -0.147700000000     -0.039181000000     -0.192779000000
  H                                                -2.124690000000     -0.633553000000      1.681464000000
  H                                                -1.888324000000     -2.037154000000      0.643744000000
  H                                                -3.377784000000     -1.087470000000      0.505904000000
  C                                                 0.491776000000      1.164959000000      0.083802000000
  C                                                 1.871834000000      1.212975000000      0.256826000000
  C                                                 2.632604000000      0.057673000000      0.146221000000
  C                                                 2.004188000000     -1.148889000000     -0.145245000000
  C                                                 0.627734000000     -1.194232000000     -0.312182000000
  H                                                -0.089333000000      2.074672000000      0.140318000000
  H                                                 2.351589000000      2.159628000000      0.471088000000
  H                                                 3.706229000000      0.095350000000      0.277421000000
  H                                                 2.588377000000     -2.054912000000     -0.244841000000
  H                                                 0.152296000000     -2.139482000000     -0.545858000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12           1           1          12          12           1           1           1          12
 AtmWgt=  15.9949146  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           1           1           0           0           1           1           1           0
 AtZEff=   5.6000000   3.6000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   8.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=          12          12          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Aug 13 11:07:36 2021, MaxMem=  5637144576 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.283987    1.156120   -0.373456
      2          6           0       -1.655795   -0.121273   -0.366360
      3          1           0       -2.318612    1.484471    0.532599
      4          1           0       -1.860649   -0.525090   -1.361656
      5          6           0       -2.302509   -1.029603    0.677627
      6          6           0       -0.147700   -0.039181   -0.192779
      7          1           0       -2.124690   -0.633553    1.681464
      8          1           0       -1.888324   -2.037154    0.643744
      9          1           0       -3.377784   -1.087470    0.505904
     10          6           0        0.491776    1.164959    0.083802
     11          6           0        1.871834    1.212975    0.256826
     12          6           0        2.632604    0.057673    0.146221
     13          6           0        2.004188   -1.148889   -0.145245
     14          6           0        0.627734   -1.194232   -0.312182
     15          1           0       -0.089333    2.074672    0.140318
     16          1           0        2.351589    2.159628    0.471088
     17          1           0        3.706229    0.095350    0.277421
     18          1           0        2.588377   -2.054912   -0.244841
     19          1           0        0.152296   -2.139482   -0.545858
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.423520   0.000000
     3  H    0.964339   1.955982   0.000000
     4  H    1.995550   1.093457   2.799333   0.000000
     5  C    2.425387   1.527485   2.518305   2.146730   0.000000
     6  C    2.454610   1.520270   2.749645   2.129924   2.526211
     7  H    2.729652   2.162378   2.417338   3.056479   1.093693
     8  H    3.374647   2.178297   3.549555   2.511719   1.089888
     9  H    2.646387   2.158617   2.781625   2.470982   1.090437
    10  C    2.813187   2.543443   2.863876   3.237208   3.602327
    11  C    4.203729   3.822662   4.208277   4.424001   4.757244
    12  C    5.064535   4.322630   5.167164   4.775210   5.081329
    13  C    4.873766   3.807934   5.106922   4.099481   4.386227
    14  C    3.742463   2.523625   4.070634   2.782301   3.097281
    15  H    2.433970   2.744577   2.339211   3.486008   3.850113
    16  H    4.817556   4.686465   4.719152   5.320678   5.645749
    17  H    6.118134   5.404876   6.188173   5.836236   6.126224
    18  H    5.836711   4.665482   6.100015   4.835438   5.081631
    19  H    4.101974   2.715618   4.516801   2.706240   2.958854
                    6          7          8          9         10
     6  C    0.000000
     7  H    2.788289   0.000000
     8  H    2.778748   1.761484   0.000000
     9  H    3.467061   1.777140   1.771833   0.000000
    10  C    1.391179   3.554302   4.028888   4.497233   0.000000
    11  C    2.418379   4.627252   4.985161   5.736948   1.391691
    12  C    2.802569   5.046445   5.007456   6.129069   2.411042
    13  C    2.421639   4.544235   4.069787   5.421567   2.773760
    14  C    1.396316   3.444535   2.820436   4.089601   2.396053
    15  H    2.140732   3.721867   4.516295   4.576757   1.080953
    16  H    3.394396   5.413312   5.968220   6.585634   2.144356
    17  H    3.884837   6.041709   5.998399   7.185716   3.393267
    18  H    3.398823   5.286200   4.564072   6.090537   3.856334
    19  H    2.150797   3.523273   2.364266   3.830718   3.380983
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.387706   0.000000
    13  C    2.399496   1.391277   0.000000
    14  C    2.768790   2.407676   1.387281   0.000000
    15  H    2.145291   3.387811   3.854312   3.377081   0.000000
    16  H    1.082693   2.145396   3.383318   3.851437   2.464696
    17  H    2.148142   1.082268   2.150284   3.389363   4.282850
    18  H    3.382926   2.148930   1.082624   2.142295   4.936795
    19  H    3.852283   3.385025   2.138053   1.083579   4.276484
                   16         17         18         19
    16  H    0.000000
    17  H    2.476651   0.000000
    18  H    4.281468   2.479108   0.000000
    19  H    4.934918   4.278166   2.456065   0.000000
 Stoichiometry    C8H10O
 Framework group  C1[X(C8H10O)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.70D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.283987    1.156120   -0.373456
      2          6           0       -1.655795   -0.121273   -0.366360
      3          1           0       -2.318612    1.484471    0.532599
      4          1           0       -1.860649   -0.525090   -1.361656
      5          6           0       -2.302509   -1.029603    0.677627
      6          6           0       -0.147700   -0.039181   -0.192779
      7          1           0       -2.124690   -0.633553    1.681464
      8          1           0       -1.888324   -2.037154    0.643744
      9          1           0       -3.377784   -1.087470    0.505904
     10          6           0        0.491776    1.164959    0.083802
     11          6           0        1.871834    1.212975    0.256826
     12          6           0        2.632604    0.057673    0.146221
     13          6           0        2.004188   -1.148889   -0.145245
     14          6           0        0.627734   -1.194232   -0.312182
     15          1           0       -0.089333    2.074672    0.140318
     16          1           0        2.351589    2.159628    0.471088
     17          1           0        3.706229    0.095350    0.277421
     18          1           0        2.588377   -2.054912   -0.244841
     19          1           0        0.152296   -2.139482   -0.545858
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4642690           1.1625108           0.9300830
 Leave Link  202 at Fri Aug 13 11:07:36 2021, MaxMem=  5637144576 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       3      4      7      8      9     15     16     17     18     19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      5      6     10     11     12     13     14
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   281 symmetry adapted cartesian basis functions of A   symmetry.
 There are   263 symmetry adapted basis functions of A   symmetry.
   263 basis functions,   391 primitive gaussians,   281 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.3601437934 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Fri Aug 13 11:07:37 2021, MaxMem=  5637144576 cpu:               5.9 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   263 RedAO= T EigKep=  5.50D-06  NBF=   263
 NBsUse=   263 1.00D-06 EigRej= -1.00D+00 NBFU=   263
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   281   281   281   281   281 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Fri Aug 13 11:07:38 2021, MaxMem=  5637144576 cpu:               3.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 11:07:39 2021, MaxMem=  5637144576 cpu:               2.5 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "21_phenylethanol_conformer02_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 11:07:40 2021, MaxMem=  5637144576 cpu:               3.4 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636981583 LenY=  5636902181
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -385.565956206175    
 DIIS: error= 4.77D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -385.565956206175     IErMin= 1 ErrMin= 4.77D-03
 ErrMax= 4.77D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.42D-02 BMatP= 1.42D-02
 IDIUse=3 WtCom= 9.52D-01 WtEn= 4.77D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.404 Goal=   None    Shift=    0.000
 GapD=    0.404 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.30D-02 MaxDP=3.66D-01              OVMax= 1.97D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.11D-02    CP:  1.21D+00
 E= -385.581287986334     Delta-E=       -0.015331780159 Rises=F Damp=F
 DIIS: error= 8.84D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -385.581287986334     IErMin= 2 ErrMin= 8.84D-04
 ErrMax= 8.84D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.31D-04 BMatP= 1.42D-02
 IDIUse=3 WtCom= 9.91D-01 WtEn= 8.84D-03
 Coeff-Com: -0.384D-01 0.104D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.381D-01 0.104D+01
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=2.89D-03 MaxDP=9.06D-02 DE=-1.53D-02 OVMax= 8.07D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.32D-03    CP:  1.28D+00  1.14D+00
 E= -385.581803533924     Delta-E=       -0.000515547590 Rises=F Damp=F
 DIIS: error= 8.54D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -385.581803533924     IErMin= 3 ErrMin= 8.54D-04
 ErrMax= 8.54D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.16D-04 BMatP= 6.31D-04
 IDIUse=3 WtCom= 9.91D-01 WtEn= 8.54D-03
 Coeff-Com: -0.674D-01 0.512D+00 0.555D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.668D-01 0.508D+00 0.559D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=3.33D-04 MaxDP=1.33D-02 DE=-5.16D-04 OVMax= 4.25D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.50D-04    CP:  1.28D+00  1.15D+00  1.09D+00
 E= -385.582153880232     Delta-E=       -0.000350346308 Rises=F Damp=F
 DIIS: error= 9.95D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -385.582153880232     IErMin= 4 ErrMin= 9.95D-05
 ErrMax= 9.95D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.34D-06 BMatP= 5.16D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.418D-02-0.351D-01 0.589D-01 0.980D+00
 Coeff:     -0.418D-02-0.351D-01 0.589D-01 0.980D+00
 Gap=     0.389 Goal=   None    Shift=    0.000
 RMSDP=1.01D-04 MaxDP=3.10D-03 DE=-3.50D-04 OVMax= 1.13D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  9.61D-05    CP:  1.28D+00  1.15D+00  1.11D+00  1.15D+00
 E= -385.582165446744     Delta-E=       -0.000011566511 Rises=F Damp=F
 DIIS: error= 4.05D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -385.582165446744     IErMin= 5 ErrMin= 4.05D-05
 ErrMax= 4.05D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.78D-07 BMatP= 8.34D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.313D-02-0.394D-01-0.240D-01 0.257D+00 0.803D+00
 Coeff:      0.313D-02-0.394D-01-0.240D-01 0.257D+00 0.803D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=2.56D-05 MaxDP=7.12D-04 DE=-1.16D-05 OVMax= 3.50D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.83D-05    CP:  1.29D+00  1.15D+00  1.11D+00  1.18D+00  1.10D+00
 E= -385.582166725910     Delta-E=       -0.000001279166 Rises=F Damp=F
 DIIS: error= 1.37D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -385.582166725910     IErMin= 6 ErrMin= 1.37D-05
 ErrMax= 1.37D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.41D-07 BMatP= 9.78D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.135D-02-0.995D-02-0.143D-01-0.426D-02 0.271D+00 0.756D+00
 Coeff:      0.135D-02-0.995D-02-0.143D-01-0.426D-02 0.271D+00 0.756D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=1.02D-05 MaxDP=2.29D-04 DE=-1.28D-06 OVMax= 1.56D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.55D-06    CP:  1.28D+00  1.15D+00  1.11D+00  1.17D+00  1.16D+00
                    CP:  9.60D-01
 E= -385.582166923348     Delta-E=       -0.000000197438 Rises=F Damp=F
 DIIS: error= 4.73D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -385.582166923348     IErMin= 7 ErrMin= 4.73D-06
 ErrMax= 4.73D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.46D-08 BMatP= 1.41D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.563D-04 0.160D-02-0.158D-02-0.319D-01-0.271D-01 0.198D+00
 Coeff-Com:  0.861D+00
 Coeff:      0.563D-04 0.160D-02-0.158D-02-0.319D-01-0.271D-01 0.198D+00
 Coeff:      0.861D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=4.26D-06 MaxDP=9.98D-05 DE=-1.97D-07 OVMax= 6.49D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.16D-06    CP:  1.28D+00  1.15D+00  1.11D+00  1.17D+00  1.18D+00
                    CP:  1.05D+00  1.05D+00
 E= -385.582166948661     Delta-E=       -0.000000025312 Rises=F Damp=F
 DIIS: error= 1.64D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -385.582166948661     IErMin= 8 ErrMin= 1.64D-06
 ErrMax= 1.64D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.12D-09 BMatP= 1.46D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.176D-03 0.208D-02 0.155D-02-0.108D-01-0.482D-01-0.372D-01
 Coeff-Com:  0.294D+00 0.798D+00
 Coeff:     -0.176D-03 0.208D-02 0.155D-02-0.108D-01-0.482D-01-0.372D-01
 Coeff:      0.294D+00 0.798D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=1.39D-06 MaxDP=3.21D-05 DE=-2.53D-08 OVMax= 2.35D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  9.40D-07    CP:  1.28D+00  1.15D+00  1.11D+00  1.17D+00  1.18D+00
                    CP:  1.06D+00  1.13D+00  1.12D+00
 E= -385.582166951868     Delta-E=       -0.000000003207 Rises=F Damp=F
 DIIS: error= 2.73D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -385.582166951868     IErMin= 9 ErrMin= 2.73D-07
 ErrMax= 2.73D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.99D-11 BMatP= 2.12D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.219D-04 0.139D-03 0.253D-03 0.560D-03-0.354D-02-0.150D-01
 Coeff-Com: -0.183D-01 0.816D-01 0.954D+00
 Coeff:     -0.219D-04 0.139D-03 0.253D-03 0.560D-03-0.354D-02-0.150D-01
 Coeff:     -0.183D-01 0.816D-01 0.954D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=5.12D-07 MaxDP=1.42D-05 DE=-3.21D-09 OVMax= 4.60D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.44D-07    CP:  1.28D+00  1.15D+00  1.11D+00  1.17D+00  1.18D+00
                    CP:  1.06D+00  1.13D+00  1.19D+00  1.11D+00
 E= -385.582166951999     Delta-E=       -0.000000000131 Rises=F Damp=F
 DIIS: error= 1.48D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -385.582166951999     IErMin=10 ErrMin= 1.48D-07
 ErrMax= 1.48D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.39D-11 BMatP= 5.99D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.867D-05-0.151D-03-0.596D-04 0.125D-02 0.332D-02-0.208D-02
 Coeff-Com: -0.340D-01-0.471D-01 0.350D+00 0.729D+00
 Coeff:      0.867D-05-0.151D-03-0.596D-04 0.125D-02 0.332D-02-0.208D-02
 Coeff:     -0.340D-01-0.471D-01 0.350D+00 0.729D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=1.11D-07 MaxDP=2.41D-06 DE=-1.31D-10 OVMax= 2.00D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  7.42D-08    CP:  1.28D+00  1.15D+00  1.11D+00  1.17D+00  1.18D+00
                    CP:  1.06D+00  1.13D+00  1.20D+00  1.14D+00  1.07D+00
 E= -385.582166952003     Delta-E=       -0.000000000004 Rises=F Damp=F
 DIIS: error= 4.26D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -385.582166952003     IErMin=11 ErrMin= 4.26D-08
 ErrMax= 4.26D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.92D-13 BMatP= 1.39D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.284D-05-0.298D-04-0.292D-04 0.125D-03 0.694D-03 0.903D-03
 Coeff-Com: -0.216D-02-0.129D-01-0.373D-01 0.844D-01 0.966D+00
 Coeff:      0.284D-05-0.298D-04-0.292D-04 0.125D-03 0.694D-03 0.903D-03
 Coeff:     -0.216D-02-0.129D-01-0.373D-01 0.844D-01 0.966D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=3.46D-08 MaxDP=1.31D-06 DE=-4.21D-12 OVMax= 1.09D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.36D-08    CP:  1.28D+00  1.15D+00  1.11D+00  1.17D+00  1.18D+00
                    CP:  1.06D+00  1.13D+00  1.20D+00  1.15D+00  1.13D+00
                    CP:  1.18D+00
 E= -385.582166952017     Delta-E=       -0.000000000014 Rises=F Damp=F
 DIIS: error= 3.03D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -385.582166952017     IErMin=12 ErrMin= 3.03D-08
 ErrMax= 3.03D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.96D-13 BMatP= 7.92D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.404D-06 0.123D-04 0.190D-06-0.132D-03-0.275D-03 0.515D-03
 Coeff-Com:  0.404D-02 0.272D-02-0.577D-01-0.801D-01 0.258D+00 0.873D+00
 Coeff:     -0.404D-06 0.123D-04 0.190D-06-0.132D-03-0.275D-03 0.515D-03
 Coeff:      0.404D-02 0.272D-02-0.577D-01-0.801D-01 0.258D+00 0.873D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=1.76D-08 MaxDP=6.11D-07 DE=-1.35D-11 OVMax= 6.62D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.08D-08    CP:  1.28D+00  1.15D+00  1.11D+00  1.17D+00  1.18D+00
                    CP:  1.06D+00  1.13D+00  1.20D+00  1.15D+00  1.16D+00
                    CP:  1.27D+00  1.21D+00
 E= -385.582166952010     Delta-E=        0.000000000007 Rises=F Damp=F
 DIIS: error= 1.09D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -385.582166952017     IErMin=13 ErrMin= 1.09D-08
 ErrMax= 1.09D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.32D-14 BMatP= 1.96D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.686D-06 0.942D-05 0.661D-05-0.618D-04-0.236D-03-0.628D-04
 Coeff-Com:  0.158D-02 0.364D-02-0.790D-02-0.407D-01-0.135D+00 0.218D+00
 Coeff-Com:  0.961D+00
 Coeff:     -0.686D-06 0.942D-05 0.661D-05-0.618D-04-0.236D-03-0.628D-04
 Coeff:      0.158D-02 0.364D-02-0.790D-02-0.407D-01-0.135D+00 0.218D+00
 Coeff:      0.961D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=9.70D-09 MaxDP=2.81D-07 DE= 6.71D-12 OVMax= 3.85D-07

 SCF Done:  E(RM11) =  -385.582166952     A.U. after   13 cycles
            NFock= 13  Conv=0.97D-08     -V/T= 2.0120
 KE= 3.810283370538D+02 PE=-1.745078245865D+03 EE= 5.531075980660D+02
 Leave Link  502 at Fri Aug 13 11:10:18 2021, MaxMem=  5637144576 cpu:            1260.6 elap:             158.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   263
 NBasis=   263 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    263 NOA=    33 NOB=    33 NVA=   230 NVB=   230

 **** Warning!!: The largest alpha MO coefficient is  0.57292691D+02

 Leave Link  801 at Fri Aug 13 11:10:19 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5740 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.26D-13 8.33D-09 XBig12= 1.00D+00 3.09D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.26D-13 8.33D-09 XBig12= 1.76D-01 6.10D-02.
     11 vectors produced by pass  2 Test12= 1.26D-13 8.33D-09 XBig12= 2.63D-02 3.88D-02.
     11 vectors produced by pass  3 Test12= 1.26D-13 8.33D-09 XBig12= 2.27D-03 9.44D-03.
     11 vectors produced by pass  4 Test12= 1.26D-13 8.33D-09 XBig12= 1.43D-04 1.66D-03.
     11 vectors produced by pass  5 Test12= 1.26D-13 8.33D-09 XBig12= 6.10D-06 3.38D-04.
     11 vectors produced by pass  6 Test12= 1.26D-13 8.33D-09 XBig12= 1.98D-07 4.98D-05.
     11 vectors produced by pass  7 Test12= 1.26D-13 8.33D-09 XBig12= 5.54D-09 9.11D-06.
     11 vectors produced by pass  8 Test12= 1.26D-13 8.33D-09 XBig12= 1.02D-10 1.67D-06.
     11 vectors produced by pass  9 Test12= 1.26D-13 8.33D-09 XBig12= 2.08D-12 3.41D-07.
      7 vectors produced by pass 10 Test12= 1.26D-13 8.33D-09 XBig12= 4.39D-14 4.78D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   117 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.125723D+03
      2  0.143587D+01  0.104748D+03
      3  0.217056D+01  0.533162D+01  0.691692D+02
 Isotropic polarizability for W=    0.085645       99.88 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.949038D+02  0.544952D+01  0.814416D+01
      2  -0.416385D+02 -0.140086D+02 -0.127156D+02
      3  -0.532653D+02  0.855909D+01  0.457142D+01
      4  -0.265455D+02  0.706848D+02  0.209510D+02
      5   0.264283D+02  0.224705D+02 -0.775839D+01
      6   0.839252D+01  0.923730D+01 -0.151803D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.776272D+00  0.681547D+00  0.723738D+01
      2   0.938988D+01  0.882538D+01 -0.173469D+01
      3  -0.665348D+01 -0.394811D+02 -0.834063D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.151957D+01  0.219529D+02  0.237394D+02
      2  -0.182842D+02  0.125585D+02  0.455069D+02
      3  -0.319950D+02 -0.112323D+03 -0.140780D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.622266D+00 -0.205927D+01 -0.117792D+01
      2  -0.205927D+01 -0.141884D+01  0.195188D+01
      3  -0.117792D+01  0.195188D+01  0.505047D+00
 OR G Eigenvalues:    -3.0859    -0.6157     3.4101  Iso=     0.0972
 Eigenvectors:
   (1)   0.368306   0.862187  -0.347828
   (2)   0.688192  -0.001284   0.725527
   (3)   0.625093  -0.506589  -0.593823
 w=    0.085645 a.u., Optical Rotation Beta=      0.0972 au.
 Molar Mass =    122.1664 grams/mole, [Alpha] ( 5320.0 A) =       37.72 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   34716 ScalPx= 6.39D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   34716 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 7.49D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.11D-14 2.78D-09 XBig12= 1.00D+00 3.64D-01.
     30 vectors produced by pass  1 Test12= 2.11D-14 2.78D-09 XBig12= 5.48D-02 5.96D-02.
     30 vectors produced by pass  2 Test12= 2.11D-14 2.78D-09 XBig12= 2.03D-03 7.52D-03.
     30 vectors produced by pass  3 Test12= 2.11D-14 2.78D-09 XBig12= 3.99D-05 7.99D-04.
     30 vectors produced by pass  4 Test12= 2.11D-14 2.78D-09 XBig12= 6.39D-07 9.07D-05.
     30 vectors produced by pass  5 Test12= 2.11D-14 2.78D-09 XBig12= 6.80D-09 8.32D-06.
     30 vectors produced by pass  6 Test12= 2.11D-14 2.78D-09 XBig12= 6.14D-11 9.10D-07.
     30 vectors produced by pass  7 Test12= 2.11D-14 2.78D-09 XBig12= 4.84D-13 7.50D-08.
     15 vectors produced by pass  8 Test12= 2.11D-14 2.78D-09 XBig12= 3.66D-15 6.67D-09.
      5 vectors produced by pass  9 Test12= 2.11D-14 2.78D-09 XBig12= 1.18D-15 3.65D-09.
      3 vectors produced by pass 10 Test12= 2.11D-14 2.78D-09 XBig12= 1.76D-15 5.23D-09.
      1 vectors produced by pass 11 Test12= 2.11D-14 2.78D-09 XBig12= 6.25D-16 2.94D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.44D-15
 Solved reduced A of dimension   264 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   34716 ScalPx= 7.79D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   34716 ScalPx= 7.79D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   34716 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.34D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.125723D+03  0.143587D+01  0.217056D+01
      2   0.143587D+01  0.104748D+03  0.533162D+01
      3   0.217056D+01  0.533162D+01  0.691692D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.776272D+00  0.681547D+00  0.723738D+01
      2   0.938988D+01  0.882538D+01 -0.173469D+01
      3  -0.665348D+01 -0.394811D+02 -0.834063D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.949038D+02  0.544952D+01  0.814416D+01
      2  -0.416385D+02 -0.140086D+02 -0.127156D+02
      3  -0.532653D+02  0.855909D+01  0.457142D+01
      4  -0.265455D+02  0.706848D+02  0.209510D+02
      5   0.264283D+02  0.224705D+02 -0.775839D+01
      6   0.839252D+01  0.923730D+01 -0.151803D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.284895D+01  0.235320D+01 -0.627340D+00  0.103885D+01 -0.227394D+01
      2   0.235320D+01 -0.135765D+01  0.897084D+00 -0.227394D+01  0.277906D+01
      3  -0.627340D+00  0.897084D+00 -0.214832D-01  0.110271D+01 -0.217687D+01
                 6             7             8             9            10 
      1   0.110271D+01 -0.166007D+01  0.137481D+01 -0.575596D+00  0.312942D+01
      2  -0.217687D+01  0.137481D+01 -0.268345D+01 -0.565473D+00  0.161775D+01
      3  -0.143716D+01 -0.575596D+00 -0.565473D+00 -0.450740D+01  0.187713D-02
                11            12            13            14            15 
      1   0.161775D+01  0.187713D-02  0.566933D+01  0.375033D+01 -0.106988D+01
      2   0.178594D+01 -0.855975D+00  0.375033D+01  0.101274D-01  0.533009D+00
      3  -0.855975D+00  0.109685D+01 -0.106988D+01  0.533009D+00  0.411941D+01
                16            17            18            19            20 
      1  -0.447597D+00 -0.136574D+01  0.394929D+01 -0.593962D+00  0.427659D+00
      2  -0.136574D+01 -0.341214D+00  0.319545D+01  0.427659D+00 -0.443125D+00
      3   0.394929D+01  0.319545D+01  0.506889D+01  0.342168D+00 -0.206263D+00
                21            22            23            24            25 
      1   0.342168D+00  0.102891D+01 -0.759166D+00 -0.447320D+00  0.179769D+01
      2  -0.206263D+00 -0.759166D+00  0.210104D+01  0.105595D+01 -0.102942D+01
      3  -0.426954D+00 -0.447320D+00  0.105595D+01  0.154174D+01 -0.115065D+01
                26            27            28            29            30 
      1  -0.102942D+01 -0.115065D+01 -0.188317D+01 -0.758322D+00 -0.174308D+01
      2   0.258761D+01  0.205657D+01 -0.758322D+00 -0.603744D+00 -0.235350D+00
      3   0.205657D+01  0.410630D+01 -0.174308D+01 -0.235350D+00 -0.146951D+01
                31            32            33            34            35 
      1  -0.246062D+01 -0.153904D+01 -0.604403D+00 -0.385172D+01 -0.541078D+00
      2  -0.153904D+01 -0.124891D+01 -0.150175D+01 -0.541078D+00 -0.144544D+01
      3  -0.604403D+00 -0.150175D+01 -0.223823D+01 -0.286066D+01 -0.177247D+01
                36            37            38            39            40 
      1  -0.286066D+01  0.807422D+01  0.839349D+00  0.152804D+01 -0.234310D+01
      2  -0.177247D+01  0.839349D+00 -0.259212D+01  0.728646D+00 -0.339942D+01
      3  -0.753631D+01  0.152804D+01  0.728646D+00 -0.157358D+01  0.145855D+01
                41            42            43            44            45 
      1  -0.339942D+01  0.145855D+01  0.484175D+01  0.202566D+01 -0.206256D+01
      2   0.281600D+01  0.507439D+00  0.202566D+01  0.880999D+00 -0.289446D+01
      3   0.507439D+00 -0.315544D+01 -0.206256D+01 -0.289446D+01 -0.440905D+01
                46            47            48            49            50 
      1  -0.154169D+02 -0.231445D+01 -0.498727D+00 -0.295173D+01  0.178278D+01
      2  -0.231445D+01 -0.270652D+01 -0.122767D+00  0.178278D+01 -0.990838D-01
      3  -0.498727D+00 -0.122767D+00 -0.176383D+01  0.886462D+00  0.377573D-02
                51            52            53            54            55 
      1   0.886462D+00 -0.598167D+00  0.889328D+00 -0.350668D+01 -0.439620D+00
      2   0.377573D-02  0.889328D+00  0.500654D-01 -0.541980D+00  0.232334D+00
      3  -0.281346D+00 -0.350668D+01 -0.541980D+00 -0.161128D+01  0.735196D+00
                56            57            58            59            60 
      1   0.232334D+00  0.735196D+00  0.974911D+00  0.247081D+00 -0.443852D+00
      2   0.593486D+00 -0.794207D-01  0.247081D+00  0.607188D+00  0.115021D+01
      3  -0.794207D-01  0.101854D+01 -0.443852D+00  0.115021D+01  0.211696D+01
                61            62            63            64            65 
      1   0.109295D+01  0.195708D-01 -0.636176D+00  0.901321D+00 -0.958564D+00
      2   0.195708D-01  0.135678D+01  0.751348D+00 -0.958564D+00  0.147363D+01
      3  -0.636176D+00  0.751348D+00  0.734119D+01 -0.352996D+00 -0.330497D+00
                66            67            68            69            70 
      1  -0.352996D+00 -0.172603D+01  0.495518D+00  0.793957D-01 -0.771600D+00
      2  -0.330497D+00  0.495518D+00 -0.728459D+01  0.614578D+00 -0.283750D+00
      3   0.662982D+00  0.793957D-01  0.614578D+00 -0.101158D+01  0.331119D+00
                71            72            73            74            75 
      1  -0.283750D+00  0.331119D+00 -0.132827D+02 -0.220024D+01  0.497858D-01
      2   0.288749D+00 -0.782325D+00 -0.220024D+01 -0.136430D+01  0.124640D+00
      3  -0.782325D+00  0.575458D+00  0.497858D-01  0.124640D+00 -0.123509D+01
                76            77            78            79            80 
      1  -0.638395D+00 -0.126634D+01 -0.205297D+00 -0.194148D+01 -0.443306D+00
      2  -0.126634D+01 -0.866183D+00 -0.111947D+00 -0.443306D+00 -0.543033D+00
      3  -0.205297D+00 -0.111947D+00  0.291646D+00 -0.113685D+01  0.797093D-01
                81            82            83            84            85 
      1  -0.113685D+01  0.413317D+01 -0.935525D+00  0.313450D+00  0.722715D+01
      2   0.797093D-01 -0.935525D+00 -0.265820D+01 -0.750066D+00  0.151435D+00
      3  -0.664256D-01  0.313450D+00 -0.750066D+00 -0.169489D+01  0.654783D-01
                86            87            88            89            90 
      1   0.151435D+00  0.654783D-01  0.235432D+01 -0.335458D+00 -0.164162D+01
      2   0.152391D+01 -0.527123D+00 -0.335458D+00 -0.132333D+01  0.340535D+01
      3  -0.527123D+00  0.188018D+01 -0.164162D+01  0.340535D+01  0.906621D+00
                91            92            93            94            95 
      1  -0.306582D+01 -0.120245D+00 -0.509112D+00  0.459040D+01 -0.252050D+00
      2  -0.120245D+00  0.231733D+01 -0.383894D+00 -0.252050D+00  0.982161D+00
      3  -0.509112D+00 -0.383894D+00  0.921225D+00 -0.221969D+00 -0.743432D+00
                96            97            98            99           100 
      1  -0.221969D+00  0.214778D+00 -0.892258D+00  0.204288D+01  0.497064D+01
      2  -0.743432D+00 -0.892258D+00 -0.680801D+00  0.345479D+01  0.246166D+00
      3   0.176038D+01  0.204288D+01  0.345479D+01  0.201368D+01 -0.612061D+00
               101           102           103           104           105 
      1   0.246166D+00 -0.612061D+00  0.736067D+00 -0.406747D+00 -0.101869D+01
      2   0.307177D+01  0.100276D+00 -0.406747D+00 -0.249224D-01 -0.332510D+00
      3   0.100276D+00  0.240348D+01 -0.101869D+01 -0.332510D+00 -0.916480D-01
               106           107           108           109           110 
      1  -0.465796D+00 -0.987625D+00  0.489531D+01 -0.219851D+01 -0.117169D+00
      2  -0.987625D+00  0.111117D+00  0.648081D-01 -0.117169D+00  0.200637D+01
      3   0.489531D+01  0.648081D-01  0.131545D+01 -0.422089D+00  0.693973D+00
               111           112           113           114           115 
      1  -0.422089D+00 -0.487389D+01 -0.613495D+00 -0.815088D+00 -0.152798D+01
      2   0.693973D+00 -0.613495D+00 -0.792351D+00  0.904372D+00 -0.277447D+00
      3   0.146013D+01 -0.815088D+00  0.904372D+00 -0.182594D+01  0.263523D+01
               116           117           118           119           120 
      1  -0.277447D+00  0.263523D+01  0.351706D+01  0.172113D+01  0.511220D+00
      2   0.163346D+01 -0.303271D+01  0.172113D+01 -0.235610D+01  0.127708D+00
      3  -0.303271D+01 -0.916778D+00  0.511220D+00  0.127708D+00 -0.970116D+00
               121           122           123           124           125 
      1  -0.613427D+01 -0.762025D+00  0.306642D+00 -0.132026D+00  0.884949D+00
      2  -0.762025D+00 -0.131964D+01  0.925225D+00  0.884949D+00  0.499199D+00
      3   0.306642D+00  0.925225D+00 -0.156236D+01 -0.930753D+00 -0.316477D+01
               126           127           128           129           130 
      1  -0.930753D+00 -0.284024D+01  0.216321D+01  0.380193D-01  0.225930D+01
      2  -0.316477D+01  0.216321D+01 -0.254022D+01 -0.867324D-01 -0.277221D+01
      3  -0.218598D+01  0.380193D-01 -0.867324D-01 -0.302469D+00 -0.244683D+00
               131           132           133           134           135 
      1  -0.277221D+01 -0.244683D+00 -0.237516D+00 -0.720956D-01  0.221783D-01
      2   0.704292D+01  0.477679D+00 -0.720956D-01  0.559852D+00  0.173372D+00
      3   0.477679D+00  0.808110D+00  0.221783D-01  0.173372D+00  0.293364D-01
               136           137           138           139           140 
      1   0.293771D+01  0.302083D+01  0.717478D+00  0.268716D+01  0.401992D+01
      2   0.302083D+01  0.316982D+01  0.705640D+00  0.401992D+01  0.868019D+01
      3   0.717478D+00  0.705640D+00  0.636986D+00  0.792174D+00  0.158680D+01
               141           142           143           144           145 
      1   0.792174D+00  0.735306D+00  0.988460D+00  0.346083D+00  0.131412D+02
      2   0.158680D+01  0.988460D+00  0.183019D+01  0.533532D+00  0.380379D+00
      3   0.123687D+01  0.346083D+00  0.533532D+00  0.308124D+00  0.127687D+01
               146           147           148           149           150 
      1   0.380379D+00  0.127687D+01  0.258113D+00  0.160494D+01  0.288526D+00
      2   0.805814D+00  0.670437D-03  0.160494D+01  0.142052D+00  0.176611D+00
      3   0.670437D-03  0.116161D+01  0.288526D+00  0.176611D+00  0.656940D-01
               151           152           153           154           155 
      1   0.145816D+01  0.311633D+00  0.297810D+00  0.405585D+01 -0.354702D+01
      2   0.311633D+00  0.988500D-01 -0.206136D-02 -0.354702D+01  0.353385D+01
      3   0.297810D+00 -0.206136D-02  0.249349D+00 -0.343483D+00  0.257054D+00
               156           157           158           159           160 
      1  -0.343483D+00 -0.337360D+01  0.441103D+01  0.626781D+00 -0.292777D+00
      2   0.257054D+00  0.441103D+01 -0.759863D+01 -0.882918D+00  0.504462D+00
      3   0.580920D+00  0.626781D+00 -0.882918D+00 -0.963019D+00  0.183650D+00
               161           162           163           164           165 
      1   0.504462D+00  0.183650D+00 -0.229071D+01 -0.205048D+01 -0.405209D+00
      2  -0.106790D+01 -0.365566D+00 -0.205048D+01 -0.213604D+01 -0.584726D+00
      3  -0.365566D+00 -0.241598D+00 -0.405209D+00 -0.584726D+00 -0.484800D+00
               166           167           168           169           170 
      1  -0.196857D+01 -0.241860D+01 -0.535546D+00 -0.568193D+00 -0.770694D+00
      2  -0.241860D+01 -0.745034D+01 -0.165911D+01 -0.770694D+00 -0.181171D+01
      3  -0.535546D+00 -0.165911D+01 -0.125426D+01 -0.202000D+00 -0.593119D+00
               171 
      1  -0.202000D+00
      2  -0.593119D+00
      3  -0.439567D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.320429D+00 -0.107458D+00  0.704524D+00  0.140763D+00 -0.299428D+00
      2  -0.727332D+00 -0.135706D+00  0.435144D+01 -0.829082D+00  0.368104D+01
      3   0.280290D+01 -0.851661D+01  0.929721D+00  0.102025D+01  0.788948D+01
                 6             7             8             9            10 
      1  -0.132214D+01 -0.373120D+01  0.614699D+01  0.768923D+01 -0.206724D+01
      2   0.275896D+01 -0.118465D+01  0.352422D+01  0.109989D+02  0.114629D+01
      3  -0.512270D+01  0.172330D+00 -0.588469D+01 -0.221713D+01  0.640538D+01
                11            12            13            14            15 
      1  -0.248114D+00  0.847961D+00 -0.125185D+01 -0.215411D+00  0.379747D+00
      2   0.130772D+01 -0.863702D+00  0.371655D+01  0.931773D+00 -0.665026D+01
      3   0.200660D+01 -0.859024D-01  0.136528D+02 -0.608659D+01  0.118845D+01
                16            17            18            19            20 
      1   0.408045D+01  0.519260D+01 -0.537210D+00 -0.385335D+00  0.375517D+00
      2  -0.148537D+02 -0.702961D+01 -0.780053D+01 -0.189004D+01  0.670329D+00
      3  -0.809498D+00 -0.127902D+01  0.624756D+01  0.206735D+01 -0.265154D+00
                21            22            23            24            25 
      1   0.494117D+00  0.870341D+00 -0.260137D+01 -0.356844D+01  0.264379D+01
      2   0.981607D+00  0.848587D+00 -0.297565D+01 -0.417113D+01  0.847632D+00
      3   0.381764D-01  0.453709D+00  0.425944D+01  0.266815D+01 -0.133224D+00
                26            27            28            29            30 
      1  -0.282569D+01 -0.839019D+01 -0.504275D+00  0.959589D+00 -0.590442D+00
      2  -0.571215D+01 -0.106503D+02  0.170819D+01  0.290739D+00  0.276706D+01
      3   0.642006D+01  0.496627D+01 -0.168990D+01 -0.311409D+01 -0.257970D+00
                31            32            33            34            35 
      1   0.981252D+00  0.820181D+00 -0.704526D+00 -0.106060D+01  0.218815D+01
      2  -0.353143D+00  0.163913D+01  0.408815D+01  0.150699D+01  0.282885D+01
      3  -0.186992D+01 -0.171972D+01 -0.323060D+01 -0.896977D-01 -0.295329D+01
                36            37            38            39            40 
      1  -0.143590D+01  0.360568D+01 -0.207958D+01 -0.235539D+01  0.825075D+00
      2   0.123544D+02 -0.109938D+02 -0.356257D+01  0.644523D+01 -0.529311D+01
      3  -0.361526D+01 -0.796411D+01 -0.130969D+02  0.263049D-01 -0.718076D+01
                41            42            43            44            45 
      1   0.612546D+01 -0.691493D+01 -0.108655D+01 -0.224157D+01 -0.699564D+01
      2  -0.103480D+00  0.748213D+01  0.154247D+01  0.702311D+01  0.125976D+02
      3   0.151993D+02 -0.679674D-01  0.185086D+01 -0.515311D+00 -0.643144D+01
                46            47            48            49            50 
      1   0.701697D+00 -0.638666D+00 -0.381205D+00 -0.312716D+01 -0.159213D+01
      2   0.151404D+00 -0.154173D+01 -0.114472D+01 -0.126255D+01  0.428706D+00
      3  -0.686916D+01  0.528700D+01  0.558595D+00  0.138683D+02 -0.135371D-01
                51            52            53            54            55 
      1   0.124165D+01  0.897664D+00  0.928855D+01  0.243191D+01  0.127663D+01
      2   0.111512D+01 -0.123048D+02  0.427109D+00  0.331485D+00 -0.237082D+01
      3   0.257210D+00 -0.685025D+00  0.228718D+01 -0.764492D+00  0.125414D+01
                56            57            58            59            60 
      1   0.108056D+01  0.889328D+00  0.213568D+00  0.272654D+01  0.227415D+01
      2  -0.185007D+00 -0.240897D+01 -0.381633D+00 -0.314902D+01 -0.525247D+01
      3   0.110363D+01 -0.879318D+00  0.134658D+01  0.129662D+01  0.313733D+01
                61            62            63            64            65 
      1  -0.438108D+00  0.504946D+01  0.949602D+01 -0.212176D+01  0.137306D+01
      2  -0.227807D+01 -0.258410D+01 -0.183338D+02 -0.280172D+00  0.120137D+01
      3  -0.106617D+01  0.371351D+01  0.278038D+01 -0.740056D+01  0.550444D+01
                66            67            68            69            70 
      1   0.163736D+01  0.126101D+01 -0.544631D+01 -0.288660D+01  0.855227D+00
      2  -0.922884D+00  0.123337D+01 -0.238901D+01  0.188575D+01 -0.166451D+01
      3   0.413880D+00  0.759858D+01 -0.203820D+02  0.122513D+01  0.134597D+01
                71            72            73            74            75 
      1   0.271157D+00  0.116285D+00 -0.608442D+00 -0.813658D+00 -0.175812D+01
      2   0.159492D+01 -0.137269D+01  0.750427D+01  0.820254D+00  0.618775D+01
      3   0.745715D+00 -0.285743D+01  0.909748D+01 -0.451711D+01  0.446871D+00
                76            77            78            79            80 
      1  -0.844336D+00 -0.700342D+00 -0.366484D+00 -0.137634D+01  0.685503D+00
      2   0.120106D+01  0.809040D+00 -0.518762D+00  0.240501D+01 -0.400346D+00
      3  -0.109986D+01 -0.169633D+01 -0.334561D+00  0.175606D+00 -0.100117D+01
                81            82            83            84            85 
      1   0.544009D-01 -0.112999D+01 -0.396717D-01  0.225532D+01 -0.877117D+00
      2   0.719798D+00  0.226095D+01  0.146409D+00 -0.881774D+00  0.284492D+01
      3   0.172731D+01  0.638963D+01 -0.212260D+01  0.139239D+01  0.652502D+01
                86            87            88            89            90 
      1  -0.179926D+00 -0.257229D+01  0.509611D+01  0.322067D+01  0.867480D-01
      2   0.913960D+00  0.104056D+01 -0.121960D+02  0.665109D+00 -0.733745D+00
      3  -0.517091D+01  0.509455D+00  0.185268D+01 -0.887342D+00 -0.515000D+01
                91            92            93            94            95 
      1   0.108158D+01  0.638618D+00 -0.151221D+01  0.859966D+00  0.249156D-01
      2   0.790521D-01  0.114374D+01  0.639847D+00  0.733442D+00 -0.255549D+01
      3  -0.363183D+01 -0.955873D+01 -0.173082D+01  0.575622D+01 -0.193288D+01
                96            97            98            99           100 
      1  -0.229669D+01 -0.499755D+01  0.166651D+01 -0.825903D+00  0.840219D-01
      2   0.475959D+01 -0.688211D+01  0.865561D+01  0.350003D+01 -0.151184D+00
      3   0.155047D+01 -0.656051D-01  0.176723D+01 -0.463285D+01  0.574586D+00
               101           102           103           104           105 
      1  -0.928083D+00 -0.506876D+00 -0.121653D+01 -0.245470D+01  0.143232D+01
      2  -0.461515D-01  0.675655D+01 -0.322427D+01 -0.831003D-02 -0.442600D+00
      3  -0.676195D+01 -0.806163D-02  0.109392D+02  0.344004D+01  0.175280D+01
               106           107           108           109           110 
      1  -0.920434D+00  0.108396D+02  0.171756D+01 -0.108525D+01  0.361925D-01
      2   0.684014D+01  0.574965D+00  0.195583D+01 -0.466836D+00  0.219489D+01
      3   0.333332D+01  0.109669D+01  0.757311D+00 -0.143048D+01 -0.125086D+02
               111           112           113           114           115 
      1   0.226435D+01 -0.134480D+01  0.342256D+00 -0.200349D+01  0.598640D+01
      2   0.224105D+01 -0.840519D+00  0.269514D+01 -0.459220D+01 -0.517413D+01
      3  -0.196870D+01  0.479403D+01 -0.138450D+01 -0.185412D+01 -0.292381D+00
               116           117           118           119           120 
      1   0.263306D+01  0.177840D+01  0.285803D+00  0.766533D+00 -0.180643D+01
      2  -0.923898D+01 -0.236247D+01  0.305728D+01  0.167398D+01 -0.816915D+00
      3  -0.403471D+01  0.377303D+01 -0.775146D-01 -0.239219D+01 -0.206659D+01
               121           122           123           124           125 
      1   0.129522D+01 -0.678387D+00 -0.237517D+01 -0.512540D+01  0.272430D+01
      2   0.127388D+01 -0.114323D+01 -0.168361D+01 -0.126892D+02 -0.102927D+01
      3   0.138117D+01  0.693266D+01  0.480476D-01 -0.374046D+01 -0.657401D+00
               126           127           128           129           130 
      1  -0.142341D+01  0.381472D+00 -0.487079D+00  0.168307D+01  0.292320D+00
      2  -0.320842D+01  0.116057D+01 -0.423646D+00  0.173930D+00 -0.407796D+00
      3   0.522366D+01 -0.874425D+01  0.424172D+01  0.253490D-01  0.719099D+01
               131           132           133           134           135 
      1  -0.266407D-01 -0.328073D+01 -0.391785D+00  0.151647D+01  0.403929D-01
      2   0.957730D+00 -0.745999D+00 -0.156900D+01  0.406817D+00 -0.143293D-01
      3  -0.655513D+01 -0.856575D+00 -0.439014D+00  0.111814D+00  0.222207D-02
               136           137           138           139           140 
      1  -0.171435D+00 -0.215097D-02 -0.198930D+01 -0.134154D+00  0.454518D+00
      2   0.494992D+00  0.745651D+00  0.208910D+01  0.641731D+00  0.253209D+01
      3  -0.986183D+00 -0.287129D+01 -0.487167D+00 -0.203955D+01 -0.129992D+02
               141           142           143           144           145 
      1  -0.403377D+01  0.549402D+00  0.182231D+01 -0.406305D+00 -0.816905D-01
      2   0.354692D+01 -0.406557D+00  0.200195D-01  0.670764D+00  0.175933D+01
      3  -0.218065D+01 -0.673979D+00 -0.270274D+01 -0.475601D+00  0.652254D-01
               146           147           148           149           150 
      1   0.430307D+00 -0.197219D+00  0.233250D+00 -0.358811D-01 -0.268716D+00
      2  -0.136008D+00  0.651258D+01  0.120042D+01  0.368412D+00  0.371251D+00
      3  -0.519618D+01  0.226379D+00 -0.405856D+01 -0.282511D+00 -0.461793D+00
               151           152           153           154           155 
      1   0.106672D+00  0.631188D+00 -0.792489D-02  0.283048D+00 -0.676809D+00
      2  -0.228844D+01  0.325710D-01  0.691477D+00  0.288328D+00 -0.400242D+00
      3  -0.114942D+01 -0.569918D+00 -0.238887D+00  0.127713D+01 -0.424641D+01
               156           157           158           159           160 
      1   0.207021D+01  0.246292D+00  0.143531D+00 -0.362180D+01 -0.689174D+00
      2   0.234432D+01  0.496631D+00 -0.100803D+01 -0.332577D+01 -0.528194D+00
      3  -0.244807D-01 -0.303300D+01  0.119830D+02  0.104631D+01 -0.837613D+00
               161           162           163           164           165 
      1   0.135427D+01 -0.316674D+00  0.775918D+00  0.360894D+00 -0.174908D+01
      2   0.236242D+00 -0.449722D+00 -0.164370D+01 -0.109816D+01  0.136964D+00
      3   0.204974D+01  0.485766D+00  0.813425D+01  0.465561D+01  0.785635D+00
               166           167           168           169           170 
      1   0.490127D+00  0.927272D+00 -0.370056D+01  0.327338D+00  0.220526D+01
      2  -0.159848D+01 -0.162480D+01  0.334374D+00 -0.200000D+01 -0.721527D+00
      3   0.763200D+01  0.794935D+01  0.180819D+01  0.125131D+01  0.229365D+01
               171 
      1  -0.406080D+00
      2   0.232711D-01
      3   0.419588D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.197227D+02 -0.466408D+01  0.256055D+01 -0.663937D+01  0.217167D+01
      2  -0.772034D+01 -0.865343D+00 -0.109790D+01 -0.849501D+00  0.892810D+01
      3  -0.120023D+02  0.552942D+01 -0.146265D+01  0.748887D+01 -0.110998D+02
      4  -0.160466D+02  0.178199D+02 -0.509939D+01  0.213964D+02 -0.202693D+02
      5   0.467310D+01 -0.445569D+01  0.792006D+01 -0.748744D+01  0.108080D+02
      6  -0.268406D+01  0.181035D+01 -0.268640D+01  0.343338D+01 -0.787239D+01
                 6             7             8             9            10 
      1   0.303133D+00  0.277352D+01  0.164037D+01  0.148178D+01  0.973055D+01
      2  -0.262293D+01 -0.161231D+01 -0.399110D+01 -0.693446D+01 -0.355451D+01
      3   0.231979D+01 -0.116122D+01  0.235073D+01  0.545268D+01 -0.617604D+01
      4   0.108639D+02 -0.896117D+01  0.134633D+02  0.263581D+01 -0.617027D+01
      5   0.412178D+01  0.756909D+01  0.228437D+01  0.222672D+02  0.559480D+00
      6   0.434668D+01  0.378214D+00  0.928013D+00 -0.125429D+02  0.906157D+00
                11            12            13            14            15 
      1   0.132931D+01 -0.381582D+00  0.278283D+01 -0.752277D+01  0.395234D+01
      2   0.128975D+01  0.552544D+00  0.370896D+01  0.365957D+01  0.253503D+00
      3  -0.261906D+01 -0.170963D+00 -0.649179D+01  0.386320D+01 -0.420585D+01
      4  -0.149444D+02  0.375343D+01 -0.251545D+02  0.383615D+01 -0.205187D+01
      5   0.393185D+01 -0.108567D+02  0.781079D+01 -0.220074D+01 -0.156287D+02
      6   0.190618D+01 -0.200261D+01  0.128716D+01  0.396208D+01 -0.889132D+01
                16            17            18            19            20 
      1   0.116195D+02  0.426234D+01  0.369709D+00  0.291764D+01 -0.323303D+01
      2   0.925684D+00  0.261349D+01  0.851946D+01 -0.147557D+01  0.121640D+01
      3  -0.125452D+02 -0.687582D+01 -0.888917D+01 -0.144206D+01  0.201663D+01
      4   0.949559D+01  0.344192D+01 -0.166686D+02 -0.387397D+01  0.212328D+01
      5  -0.199398D+02 -0.152845D+02 -0.208924D+02 -0.221303D+01  0.158823D+01
      6  -0.944004D+01 -0.448149D+01 -0.501622D+01  0.135838D+01 -0.976777D-01
                21            22            23            24            25 
      1  -0.238016D+01 -0.347556D+01 -0.283641D+01 -0.105688D+01 -0.440012D+01
      2   0.614531D+00  0.321854D+00  0.531603D+01  0.274538D+01  0.182366D+01
      3   0.176563D+01  0.315370D+01 -0.247962D+01 -0.168850D+01  0.257645D+01
      4   0.216996D+01  0.536782D+01 -0.958435D+01 -0.549071D+01  0.724265D+01
      5   0.226678D+01  0.248132D+01 -0.510176D+01 -0.714948D+01  0.653086D+01
      6  -0.591492D+00 -0.156587D+01  0.419480D+01  0.631819D+01 -0.352997D+01
                26            27            28            29            30 
      1  -0.880047D+00 -0.257233D+01  0.392962D+01  0.119140D+01  0.421493D+01
      2   0.323908D+01  0.191213D+01 -0.586857D+01 -0.121998D+01 -0.463072D+01
      3  -0.235903D+01  0.660202D+00  0.193895D+01  0.285845D-01  0.415789D+00
      4  -0.125427D+02 -0.101522D+02  0.453680D+01  0.586879D+01  0.220453D+01
      5  -0.976887D+01 -0.192425D+02  0.992777D+01  0.217367D+01  0.122005D+02
      6   0.785654D+01  0.120601D+02  0.276845D+01  0.382739D+00  0.187634D+01
                31            32            33            34            35 
      1   0.127398D+01 -0.207685D+01 -0.331190D+01  0.240726D+01 -0.289859D+01
      2  -0.239202D+01 -0.603415D+00 -0.661168D+00 -0.813000D+01 -0.215523D+01
      3   0.111804D+01  0.268026D+01  0.397307D+01  0.572274D+01  0.505381D+01
      4   0.910983D+01  0.594043D+01  0.683880D+01  0.330038D+01  0.656815D+01
      5   0.375085D+01  0.653902D+01  0.950403D+01  0.179686D+02  0.792955D+01
      6   0.261900D+01  0.493791D+01  0.882122D+01  0.484934D+01  0.642770D+01
                36            37            38            39            40 
      1  -0.105042D+02 -0.536699D+02 -0.147968D+02 -0.182370D+01 -0.731524D+01
      2  -0.141088D+02  0.225492D+02  0.138415D+02  0.402267D+01  0.665927D+01
      3   0.246130D+02  0.311208D+02  0.955326D+00 -0.219897D+01  0.655970D+00
      4   0.812672D+01 -0.168735D+02  0.109922D+02 -0.416629D+01  0.167348D+02
      5   0.320841D+02 -0.238622D+01 -0.175261D+01  0.936155D+01 -0.736632D+01
      6   0.107885D+02 -0.385221D+01 -0.522686D+01  0.349726D+01 -0.589823D+01
                41            42            43            44            45 
      1   0.202095D+02  0.181849D+01 -0.117390D+02 -0.480914D+00  0.124352D+02
      2  -0.218256D+02  0.597068D+01  0.577056D+01  0.394237D+01  0.792606D+01
      3   0.161607D+01 -0.778917D+01  0.596848D+01 -0.346146D+01 -0.203612D+02
      4  -0.698195D+01 -0.301412D+01 -0.143138D+02 -0.449836D+01  0.181047D+02
      5  -0.601188D+01  0.144970D+02  0.137755D+02  0.146743D+02  0.172870D+02
      6   0.528833D-01  0.597918D+01  0.708919D+01  0.583360D+01 -0.888464D+00
                46            47            48            49            50 
      1  -0.199526D+02  0.170387D+00 -0.255938D+00  0.205244D+01 -0.103169D+02
      2   0.666493D+01 -0.869247D+00 -0.294958D+00 -0.230572D+01  0.145910D+02
      3   0.132876D+02  0.698861D+00  0.550895D+00  0.253276D+00 -0.427418D+01
      4   0.109794D+02  0.464281D+01  0.334367D+00 -0.136865D+02 -0.259653D+01
      5  -0.119833D+01 -0.995511D-01  0.798745D+00 -0.336566D+01 -0.118782D+01
      6  -0.957591D+00  0.249065D+00  0.205197D+00 -0.253434D+01  0.305270D+01
                51            52            53            54            55 
      1  -0.423734D+00 -0.658123D+01 -0.146509D+01 -0.100733D+02  0.337143D+01
      2   0.424965D+01  0.147135D+01  0.190036D+01 -0.315192D+01 -0.438543D+01
      3  -0.382591D+01  0.510988D+01 -0.435270D+00  0.132252D+02  0.101400D+01
      4  -0.172011D+01 -0.358454D+01 -0.170414D+01  0.276655D+01  0.146931D+00
      5   0.193780D+01  0.284714D+01  0.204992D+01  0.601674D-01 -0.310949D+01
      6  -0.236635D+01 -0.863672D+00  0.480581D+01 -0.386592D+01  0.225268D-02
                56            57            58            59            60 
      1   0.327476D+00 -0.659453D+01 -0.241769D+01 -0.502194D+01 -0.217025D+01
      2  -0.124162D+01  0.941486D+00  0.174633D+01  0.654397D+00 -0.563035D+01
      3   0.914140D+00  0.565304D+01  0.671357D+00  0.436755D+01  0.780061D+01
      4  -0.205058D+01 -0.714541D+00 -0.562395D+00 -0.402762D+01 -0.562144D+01
      5   0.916010D+00  0.750376D+00  0.380755D+01 -0.428813D+01 -0.944062D+01
      6   0.156794D+01 -0.953088D+00  0.744718D-01  0.210796D+01  0.376952D+01
                61            62            63            64            65 
      1  -0.541904D+01 -0.924271D+00 -0.166288D+02 -0.241622D+01  0.935246D+01
      2   0.436422D+01 -0.402045D+01 -0.175402D+02  0.531726D+01 -0.949544D+01
      3   0.105483D+01  0.494472D+01  0.341690D+02 -0.290104D+01  0.142984D+00
      4  -0.146573D+01 -0.698113D+01 -0.584031D+01  0.136165D+01 -0.163170D+01
      5   0.835805D+01 -0.327618D+01 -0.314204D+02  0.222354D+01 -0.562982D+00
      6   0.834298D+00  0.427414D+01 -0.698212D+01 -0.189261D+00  0.265546D+01
                66            67            68            69            70 
      1  -0.757383D+00  0.892859D+01 -0.246775D+02  0.229156D+01  0.204137D+01
      2  -0.381544D+00 -0.632028D+01  0.373143D+02 -0.151727D+01 -0.140755D+01
      3   0.113893D+01 -0.260831D+01 -0.126367D+02 -0.774296D+00 -0.633815D+00
      4   0.112550D+01  0.424419D+01  0.281189D+02 -0.246677D+01  0.216667D+01
      5  -0.212901D+01 -0.269639D+01 -0.253396D+00  0.367595D+01 -0.355380D+00
      6  -0.264350D+01  0.599903D+00 -0.988482D+01  0.633873D+01 -0.154243D+01
                71            72            73            74            75 
      1   0.210655D+01 -0.600650D+01  0.841857D+02  0.106296D+02  0.212540D+01
      2  -0.651162D+00  0.344466D+01 -0.402698D+02 -0.256231D+01  0.522996D+00
      3  -0.145539D+01  0.256184D+01 -0.439159D+02 -0.806729D+01 -0.264839D+01
      4  -0.471699D+00  0.172246D+01  0.311610D+02  0.151056D+02 -0.995572D-01
      5   0.247749D+01 -0.178190D+01 -0.975179D+01 -0.187688D+01  0.105777D+02
      6   0.645011D+01 -0.130108D+01 -0.400449D+00 -0.147083D+01  0.335444D+01
                76            77            78            79            80 
      1   0.260478D+01  0.596563D+01  0.286826D-01  0.920814D+01  0.841518D+00
      2   0.156715D+01  0.414531D-01 -0.426900D+00 -0.337633D+01 -0.511788D-01
      3  -0.417192D+01 -0.600708D+01  0.398218D+00 -0.583181D+01 -0.790339D+00
      4   0.130484D+02  0.707852D+01  0.795852D+00  0.426235D+01  0.302020D+01
      5   0.471773D+00 -0.271313D-01 -0.860535D+00  0.103095D+02  0.270768D+00
      6  -0.789885D+00 -0.545398D+00  0.715257D+00  0.306237D+01  0.795515D+00
                81            82            83            84            85 
      1   0.661951D+01  0.473904D+01  0.158376D+02  0.501590D+01 -0.205690D+01
      2  -0.542114D+01 -0.537588D+01 -0.116169D+02 -0.174866D+01  0.108338D+02
      3  -0.119838D+01  0.636841D+00 -0.422066D+01 -0.326724D+01 -0.877693D+01
      4   0.128561D+01  0.924370D+01 -0.103375D+02  0.522370D+00  0.485944D+01
      5   0.457443D+00  0.228610D+01  0.255137D+00 -0.122636D+01  0.180499D+01
      6   0.782472D+00  0.334325D+01 -0.343832D+01 -0.429341D+01  0.535853D+01
                86            87            88            89            90 
      1   0.485284D+01  0.269495D+01  0.807463D+00  0.511055D+01 -0.141880D+02
      2  -0.924627D+01 -0.208463D+01  0.231294D+01 -0.631901D+01  0.208119D+01
      3   0.439344D+01 -0.610320D+00 -0.312040D+01  0.120846D+01  0.121069D+02
      4   0.148435D+02  0.204789D+01  0.118553D+01 -0.150530D+01  0.317295D+01
      5   0.198240D+01  0.102885D+01  0.417358D+01  0.301218D+01 -0.178075D+01
      6  -0.357220D+01  0.578770D+01 -0.308464D+01  0.138725D+02  0.472407D+00
                91            92            93            94            95 
      1   0.412439D+01 -0.219214D+02 -0.238543D+01  0.227651D+02  0.110216D+02
      2  -0.403670D+01  0.147440D+02  0.122890D+01 -0.211421D+02 -0.145999D+02
      3  -0.876926D-01  0.717734D+01  0.115653D+01 -0.162292D+01  0.357830D+01
      4  -0.138136D+02 -0.676725D+01 -0.554181D+01  0.660593D+01 -0.539113D+01
      5  -0.440382D+01 -0.512779D+01 -0.422224D+00 -0.488474D+00 -0.525794D+01
      6  -0.570612D+01 -0.176609D+01  0.349701D+01 -0.419630D+01 -0.859214D+01
                96            97            98            99           100 
      1   0.236688D+01  0.226866D+01 -0.315437D+01 -0.442699D+01 -0.130146D+02
      2  -0.521056D+01 -0.603361D+01 -0.469759D+01 -0.530425D+01  0.845854D+01
      3   0.284368D+01  0.376496D+01  0.785196D+01  0.973123D+01  0.455609D+01
      4  -0.498957D+01 -0.527604D+01 -0.914806D+01  0.134364D+02 -0.160946D+01
      5   0.974292D+01  0.125244D+02  0.142046D+02  0.681238D+01 -0.787271D+01
      6   0.383771D+01  0.587127D+01  0.130554D+02  0.248417D+01  0.100239D+01
               101           102           103           104           105 
      1  -0.682240D+00 -0.651898D+01  0.385528D+01 -0.227453D+02 -0.618910D+01
      2   0.482377D+00  0.385219D+01 -0.221108D+01  0.194166D+02  0.782103D+01
      3   0.199864D+00  0.266679D+01 -0.164419D+01  0.332868D+01 -0.163194D+01
      4   0.214470D+02  0.101452D+01 -0.204163D+02 -0.651036D+01 -0.365657D+01
      5   0.901902D+00  0.143452D+02 -0.942659D+01 -0.268006D+01 -0.126972D+01
      6   0.787535D+00  0.112701D+01 -0.309132D+01  0.339188D+01 -0.281318D+01
               106           107           108           109           110 
      1  -0.914108D+01 -0.643036D+01  0.124484D+02  0.359039D+01  0.227928D+02
      2   0.359632D+01  0.563247D+01 -0.168763D+02 -0.587588D+01 -0.140044D+02
      3   0.554476D+01  0.797889D+00  0.442789D+01  0.228549D+01 -0.878835D+01
      4  -0.102203D+02  0.479680D+00 -0.778899D+00  0.200872D+02  0.955435D+00
      5   0.327757D+02  0.290001D+00  0.504430D+01  0.656541D+00  0.363495D+01
      6   0.200964D+00  0.456800D+01 -0.269663D+01  0.238469D+01 -0.301165D+01
               111           112           113           114           115 
      1   0.476065D+01 -0.223718D+02  0.758104D+01  0.121755D+01 -0.649649D+01
      2  -0.657554D+00  0.219499D+02 -0.123602D+02 -0.120220D+01  0.756648D+01
      3  -0.410310D+01  0.421870D+00  0.477912D+01 -0.153501D-01 -0.106999D+01
      4   0.409688D+01  0.532938D+01  0.129865D+02  0.776865D+01  0.196989D+01
      5   0.507923D+01 -0.332558D+01  0.699144D+01 -0.901527D+01  0.166357D+02
      6  -0.505209D+01  0.594334D+01 -0.529549D+01  0.473479D+01 -0.686855D+01
               116           117           118           119           120 
      1   0.612767D+01  0.656800D+00  0.595806D+01 -0.137790D+02 -0.158253D+00
      2  -0.841324D+01 -0.641615D+01 -0.540861D+01  0.114558D+02 -0.374775D+00
      3   0.228558D+01  0.575935D+01 -0.549445D+00  0.232312D+01  0.533028D+00
      4   0.761436D+01 -0.131658D+02 -0.130180D+02 -0.167924D+02 -0.381037D+01
      5  -0.137727D+02 -0.583487D+01 -0.650206D+00 -0.360416D+01 -0.377099D+01
      6   0.122836D+02 -0.216611D+01 -0.326382D+01 -0.162489D+01  0.358624D+01
               121           122           123           124           125 
      1   0.156812D+01  0.904542D+01  0.494876D+01  0.181994D+01  0.220116D+01
      2  -0.906535D+01 -0.119484D+02 -0.610205D+01 -0.419615D+01 -0.703681D+01
      3   0.749724D+01  0.290302D+01  0.115329D+01  0.237621D+01  0.483565D+01
      4   0.117540D+02 -0.122591D+02 -0.129887D+01  0.401906D-01 -0.430035D+01
      5   0.674711D+00 -0.138407D+01 -0.156433D+01  0.667067D+00 -0.463752D+01
      6  -0.455647D+01 -0.908502D+01  0.301451D+01  0.329400D+01  0.119328D+02
               126           127           128           129           130 
      1  -0.146217D+02 -0.463437D+01  0.762507D+01  0.321789D+00  0.832158D+01
      2  -0.258493D+00  0.692119D+01 -0.105808D+02 -0.322379D+00 -0.115139D+02
      3   0.148802D+02 -0.228682D+01  0.295571D+01  0.590471D-03  0.319233D+01
      4  -0.604666D+01 -0.749617D+01  0.761013D+01  0.709209D+00  0.731383D+01
      5  -0.573256D+01 -0.522862D+00  0.854702D+00  0.751726D+00  0.821684D+00
      6   0.523607D+01  0.169186D-01 -0.121409D+00 -0.217475D+01 -0.105532D+01
               131           132           133           134           135 
      1  -0.249818D+02 -0.200334D+01  0.289292D+00 -0.200067D+01 -0.105501D+01
      2   0.340751D+02  0.156791D+01 -0.711263D+00  0.260763D+01  0.170648D+01
      3  -0.909329D+01  0.435428D+00  0.421970D+00 -0.606957D+00 -0.651461D+00
      4  -0.697815D+01 -0.402408D+00  0.363003D+00  0.550932D-02 -0.167441D+01
      5  -0.932914D+00 -0.860462D+00  0.643661D+00 -0.887787D+00  0.846292D-01
      6   0.250065D+01  0.539124D+01 -0.906331D+00  0.219070D+01  0.666575D+00
               136           137           138           139           140 
      1   0.872883D+01  0.695557D+01  0.131949D+01  0.121061D+01 -0.100138D+02
      2   0.188980D+01  0.418386D+01 -0.138422D+00  0.102730D+02  0.310748D+02
      3  -0.106186D+02 -0.111394D+02 -0.118107D+01 -0.114836D+02 -0.210610D+02
      4   0.227032D+02  0.255628D+02  0.515957D+01  0.268882D+02  0.470759D+02
      5   0.487458D+01  0.503323D+01  0.520713D+01  0.496161D+01  0.792102D+01
      6   0.347985D+01  0.383183D+01  0.340901D+01  0.486610D+01  0.102640D+02
               141           142           143           144           145 
      1  -0.212092D+01  0.992606D+00 -0.126302D+01 -0.122125D+01  0.997990D+02
      2   0.364052D+01  0.127761D+01  0.458465D+01  0.252109D+01 -0.574833D+02
      3  -0.151960D+01 -0.227022D+01 -0.332163D+01 -0.129984D+01 -0.423156D+02
      4   0.829784D+01  0.645301D+01  0.100284D+02  0.426743D+01  0.349301D+01
      5   0.643331D+01  0.257590D+01  0.353713D+01  0.240459D+01  0.121949D+02
      6   0.826844D+01  0.248090D+01  0.502391D+01  0.295996D+01 -0.202800D+01
               146           147           148           149           150 
      1   0.288741D+01  0.797886D+01  0.157847D+01  0.956356D+01  0.112901D+01
      2  -0.145162D+01 -0.565092D+01 -0.726245D+00 -0.471996D+01 -0.972905D+00
      3  -0.143579D+01 -0.232794D+01 -0.852226D+00 -0.484360D+01 -0.156105D+00
      4   0.851968D+01 -0.881230D-01  0.149014D+02  0.109687D+01  0.146048D+01
      5  -0.120764D-01  0.117737D+02  0.227606D+01  0.154995D+01  0.561568D+00
      6   0.585406D+00 -0.316984D-01  0.108700D+01 -0.138843D+00  0.142622D+01
               151           152           153           154           155 
      1   0.102960D+02  0.134719D+01  0.483009D+01  0.155470D+02 -0.105203D+02
      2  -0.626816D+01 -0.833984D+00 -0.314205D+01 -0.576874D+00 -0.320500D+01
      3  -0.402781D+01 -0.513207D+00 -0.168805D+01 -0.149701D+02  0.137253D+02
      4   0.241742D+01  0.118985D+01  0.401087D+00 -0.288817D+02  0.292802D+02
      5   0.512944D+01  0.238663D+00  0.269846D+01 -0.352117D+01  0.263939D+01
      6  -0.292307D-01  0.712040D+00  0.265135D+00  0.116966D+01 -0.888979D+00
               156           157           158           159           160 
      1  -0.139539D+01 -0.564558D+01 -0.170893D+01  0.822082D-01  0.252658D+00
      2   0.417572D+00 -0.877660D+01  0.234557D+02  0.105028D+01 -0.141109D+01
      3   0.977816D+00  0.144222D+02 -0.217468D+02 -0.113249D+01  0.115843D+01
      4   0.249993D+01  0.319182D+02 -0.472149D+02 -0.530604D+01  0.356821D+01
      5   0.509897D+01  0.457698D+01 -0.592639D+01 -0.592661D+01  0.233673D+01
      6  -0.304335D+01 -0.279247D+01  0.443067D+01  0.627795D+01 -0.192815D+01
               161           162           163           164           165 
      1  -0.963766D+00 -0.540161D+00 -0.502563D+01 -0.758781D+01 -0.275215D+01
      2   0.275545D+01  0.172528D+01  0.641516D+01  0.894175D+01  0.169791D+01
      3  -0.179168D+01 -0.118512D+01 -0.138953D+01 -0.135394D+01  0.105424D+01
      4  -0.559462D+01 -0.362526D+01  0.550637D+01  0.734394D+01  0.126143D+01
      5  -0.263363D+01 -0.132853D+01  0.404211D+00  0.894283D+00  0.144280D+01
      6   0.335304D+01  0.167029D+01  0.264950D+01  0.387019D+01  0.291989D+01
               166           167           168           169           170 
      1  -0.797686D+01 -0.283411D+02 -0.711185D+01 -0.244639D+01 -0.673067D+01
      2   0.101571D+02  0.364408D+02  0.624083D+01  0.259061D+01  0.733985D+01
      3  -0.218020D+01 -0.809966D+01  0.871024D+00 -0.144215D+00 -0.609178D+00
      4   0.607116D+01  0.227240D+01  0.115597D+00  0.135667D+01  0.935019D+00
      5   0.718140D+00 -0.539610D+00  0.212516D+00  0.119730D+01  0.728122D+00
      6   0.338187D+01  0.114224D+02  0.821270D+01  0.156833D+01  0.486608D+01
               171 
      1  -0.311594D+01
      2   0.320455D+01
      3  -0.886124D-01
      4   0.203244D+01
      5   0.984237D+00
      6   0.340539D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 11:38:46 2021, MaxMem=  5637144576 cpu:           13537.1 elap:            1706.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.46665 -10.49918 -10.45164 -10.44617 -10.44534
 Alpha  occ. eigenvalues --  -10.44489 -10.44327 -10.44197 -10.43769  -1.15483
 Alpha  occ. eigenvalues --   -0.99871  -0.91389  -0.87885  -0.85838  -0.77040
 Alpha  occ. eigenvalues --   -0.73004  -0.71136  -0.65553  -0.60320  -0.59641
 Alpha  occ. eigenvalues --   -0.56552  -0.55737  -0.55095  -0.53537  -0.51075
 Alpha  occ. eigenvalues --   -0.49294  -0.48413  -0.46517  -0.44767  -0.44058
 Alpha  occ. eigenvalues --   -0.39831  -0.35381  -0.34447
 Alpha virt. eigenvalues --    0.04513   0.05920   0.06082   0.06346   0.06806
 Alpha virt. eigenvalues --    0.08022   0.08472   0.09123   0.11539   0.12052
 Alpha virt. eigenvalues --    0.13312   0.13764   0.16461   0.17487   0.18160
 Alpha virt. eigenvalues --    0.18514   0.19309   0.20044   0.21384   0.21534
 Alpha virt. eigenvalues --    0.22833   0.22863   0.23498   0.24697   0.25698
 Alpha virt. eigenvalues --    0.26766   0.27000   0.27917   0.28431   0.29892
 Alpha virt. eigenvalues --    0.30154   0.30920   0.31157   0.31751   0.32488
 Alpha virt. eigenvalues --    0.33001   0.34183   0.35038   0.35805   0.36115
 Alpha virt. eigenvalues --    0.36684   0.37175   0.37869   0.38335   0.38981
 Alpha virt. eigenvalues --    0.39461   0.39957   0.40319   0.41307   0.41549
 Alpha virt. eigenvalues --    0.41999   0.42751   0.43176   0.43515   0.44255
 Alpha virt. eigenvalues --    0.44802   0.45163   0.46095   0.46655   0.46977
 Alpha virt. eigenvalues --    0.47257   0.47421   0.47982   0.48350   0.49234
 Alpha virt. eigenvalues --    0.49988   0.50067   0.51141   0.51712   0.52677
 Alpha virt. eigenvalues --    0.54333   0.54472   0.55198   0.55585   0.56528
 Alpha virt. eigenvalues --    0.56960   0.57959   0.58845   0.59844   0.61032
 Alpha virt. eigenvalues --    0.61900   0.62357   0.62679   0.63758   0.64515
 Alpha virt. eigenvalues --    0.65085   0.66926   0.68064   0.68389   0.69656
 Alpha virt. eigenvalues --    0.70490   0.70652   0.72066   0.72565   0.74044
 Alpha virt. eigenvalues --    0.74788   0.76398   0.77578   0.78935   0.79569
 Alpha virt. eigenvalues --    0.80575   0.81289   0.82344   0.83092   0.84660
 Alpha virt. eigenvalues --    0.84834   0.86818   0.88503   0.93928   0.96036
 Alpha virt. eigenvalues --    0.96477   1.00295   1.01551   1.02965   1.03494
 Alpha virt. eigenvalues --    1.05084   1.05637   1.07101   1.07397   1.08007
 Alpha virt. eigenvalues --    1.09481   1.10775   1.11544   1.13168   1.15492
 Alpha virt. eigenvalues --    1.16495   1.17929   1.18757   1.19369   1.20694
 Alpha virt. eigenvalues --    1.22128   1.23687   1.24880   1.26217   1.27788
 Alpha virt. eigenvalues --    1.29543   1.30017   1.31977   1.32088   1.33216
 Alpha virt. eigenvalues --    1.34558   1.38682   1.39062   1.42415   1.45135
 Alpha virt. eigenvalues --    1.46025   1.48265   1.51606   1.57866   1.61250
 Alpha virt. eigenvalues --    1.62447   1.66665   1.67708   1.67843   1.69277
 Alpha virt. eigenvalues --    1.70324   1.72447   1.74930   1.77211   1.77957
 Alpha virt. eigenvalues --    1.80946   1.83285   1.87449   1.88518   1.89040
 Alpha virt. eigenvalues --    1.90872   1.93460   1.95111   1.96595   1.97631
 Alpha virt. eigenvalues --    1.99032   2.00308   2.02459   2.05387   2.06231
 Alpha virt. eigenvalues --    2.08403   2.09536   2.10554   2.11197   2.12002
 Alpha virt. eigenvalues --    2.13100   2.14887   2.18079   2.20706   2.22184
 Alpha virt. eigenvalues --    2.24162   2.24275   2.27682   2.28165   2.29780
 Alpha virt. eigenvalues --    2.35831   2.37153   2.38956   2.42538   2.45394
 Alpha virt. eigenvalues --    2.47030   2.48017   2.48823   2.50077   2.54069
 Alpha virt. eigenvalues --    2.54642   2.57056   2.58567   2.61177   2.66887
 Alpha virt. eigenvalues --    2.68844   2.71585   2.74377   2.77727   2.82006
 Alpha virt. eigenvalues --    2.92558   2.92974   2.94737   2.95659   3.00035
 Alpha virt. eigenvalues --    3.04210   3.09913   3.11493   3.13260   3.16991
 Alpha virt. eigenvalues --    3.19199   3.21810   3.23494   3.27764   3.31153
 Alpha virt. eigenvalues --    3.32553   3.40947   3.63997   3.78771   4.00523
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.114531   0.160383   0.168278  -0.033735  -0.045676  -0.163437
     2  C    0.160383   5.863003   0.144392   0.117359   0.351133  -0.144074
     3  H    0.168278   0.144392   0.566963  -0.003533  -0.032792  -0.054306
     4  H   -0.033735   0.117359  -0.003533   1.015040   0.043736  -0.117830
     5  C   -0.045676   0.351133  -0.032792   0.043736   4.356032  -0.069569
     6  C   -0.163437  -0.144074  -0.054306  -0.117830  -0.069569   9.024616
     7  H   -0.015243   0.166182   0.000547  -0.006950   0.300029  -0.040590
     8  H   -0.010287   0.052306   0.007464   0.012239   0.298608  -0.114861
     9  H    0.025433   0.051992  -0.008654  -0.041140   0.303058   0.024316
    10  C   -0.043051  -0.373623  -0.028308   0.067099   0.022864  -0.402547
    11  C    0.014095   0.042527   0.000362   0.000522  -0.000645   0.460055
    12  C   -0.002167   0.044324  -0.000841  -0.002550   0.002246  -0.194424
    13  C   -0.001224   0.046219   0.001415  -0.004325  -0.001128   0.536106
    14  C    0.035104  -0.373507   0.013241  -0.039953  -0.046505  -0.717899
    15  H    0.044507  -0.259740  -0.018898   0.007904  -0.011078  -0.931284
    16  H   -0.006269   0.005306  -0.000633  -0.000109   0.000549   0.007747
    17  H    0.000380  -0.002571   0.000045   0.000118  -0.000202   0.119139
    18  H   -0.000359   0.002953  -0.000093  -0.001540   0.000404   0.074072
    19  H    0.017487  -0.231218   0.002388   0.025273  -0.004406  -0.920358
               7          8          9         10         11         12
     1  O   -0.015243  -0.010287   0.025433  -0.043051   0.014095  -0.002167
     2  C    0.166182   0.052306   0.051992  -0.373623   0.042527   0.044324
     3  H    0.000547   0.007464  -0.008654  -0.028308   0.000362  -0.000841
     4  H   -0.006950   0.012239  -0.041140   0.067099   0.000522  -0.002550
     5  C    0.300029   0.298608   0.303058   0.022864  -0.000645   0.002246
     6  C   -0.040590  -0.114861   0.024316  -0.402547   0.460055  -0.194424
     7  H    0.746487  -0.065389  -0.038132  -0.000346   0.001142   0.000350
     8  H   -0.065389   0.922363  -0.068778  -0.007022  -0.000569   0.000215
     9  H   -0.038132  -0.068778   0.700982  -0.005955  -0.000428  -0.000104
    10  C   -0.000346  -0.007022  -0.005955   7.823919  -0.655364   0.452610
    11  C    0.001142  -0.000569  -0.000428  -0.655364   7.108659  -0.155297
    12  C    0.000350   0.000215  -0.000104   0.452610  -0.155297   6.729859
    13  C   -0.002878   0.001311   0.000488  -0.304959   0.512841  -0.224630
    14  C   -0.007444   0.009980  -0.013958   0.157496  -0.212947   0.460937
    15  H   -0.000822  -0.000539  -0.002742  -0.013827  -0.328958  -0.044153
    16  H   -0.000141   0.000052   0.000019  -0.245482  -0.204442  -0.424896
    17  H    0.000011   0.000011  -0.000002  -0.059973  -0.273570   0.111224
    18  H    0.000443  -0.001271   0.000032   0.181520  -0.082486  -0.468733
    19  H   -0.010007   0.025630  -0.002796  -0.040307   0.194999  -0.035430
              13         14         15         16         17         18
     1  O   -0.001224   0.035104   0.044507  -0.006269   0.000380  -0.000359
     2  C    0.046219  -0.373507  -0.259740   0.005306  -0.002571   0.002953
     3  H    0.001415   0.013241  -0.018898  -0.000633   0.000045  -0.000093
     4  H   -0.004325  -0.039953   0.007904  -0.000109   0.000118  -0.001540
     5  C   -0.001128  -0.046505  -0.011078   0.000549  -0.000202   0.000404
     6  C    0.536106  -0.717899  -0.931284   0.007747   0.119139   0.074072
     7  H   -0.002878  -0.007444  -0.000822  -0.000141   0.000011   0.000443
     8  H    0.001311   0.009980  -0.000539   0.000052   0.000011  -0.001271
     9  H    0.000488  -0.013958  -0.002742   0.000019  -0.000002   0.000032
    10  C   -0.304959   0.157496  -0.013827  -0.245482  -0.059973   0.181520
    11  C    0.512841  -0.212947  -0.328958  -0.204442  -0.273570  -0.082486
    12  C   -0.224630   0.460937  -0.044153  -0.424896   0.111224  -0.468733
    13  C    7.504573  -1.006566   0.185816  -0.054204  -0.310069  -0.121221
    14  C   -1.006566   8.017784   0.053269   0.143745  -0.013534  -0.322882
    15  H    0.185816   0.053269   2.335420  -0.549072   0.055859  -0.020614
    16  H   -0.054204   0.143745  -0.549072   2.412655  -0.525695   0.062936
    17  H   -0.310069  -0.013534   0.055859  -0.525695   2.043710  -0.516860
    18  H   -0.121221  -0.322882  -0.020614   0.062936  -0.516860   2.417078
    19  H   -0.354961   0.351847   0.051672  -0.019656   0.054690  -0.504098
              19
     1  O    0.017487
     2  C   -0.231218
     3  H    0.002388
     4  H    0.025273
     5  C   -0.004406
     6  C   -0.920358
     7  H   -0.010007
     8  H    0.025630
     9  H   -0.002796
    10  C   -0.040307
    11  C    0.194999
    12  C   -0.035430
    13  C   -0.354961
    14  C    0.351847
    15  H    0.051672
    16  H   -0.019656
    17  H    0.054690
    18  H   -0.504098
    19  H    2.206899
 Mulliken charges:
               1
     1  O   -0.258750
     2  C    0.336653
     3  H    0.242961
     4  H   -0.037628
     5  C    0.533344
     6  C   -0.374870
     7  H   -0.027251
     8  H   -0.061464
     9  H    0.076368
    10  C   -0.524742
    11  C   -0.420498
    12  C   -0.248539
    13  C   -0.402603
    14  C   -0.488207
    15  H    0.447278
    16  H    0.397588
    17  H    0.317289
    18  H    0.300717
    19  H    0.192353
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.015789
     2  C    0.299026
     5  C    0.520997
     6  C   -0.374870
    10  C   -0.077464
    11  C   -0.022910
    12  C    0.068750
    13  C   -0.101886
    14  C   -0.295854
 Electronic spatial extent (au):  <R**2>=           1276.1723
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.3875    Y=             -0.9680    Z=              1.2997  Tot=              1.6662
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -52.5378   YY=            -50.5259   ZZ=            -56.8714
   XY=              2.3139   XZ=             -2.8649   YZ=              4.1808
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.7739   YY=              2.7858   ZZ=             -3.5597
   XY=              2.3139   XZ=             -2.8649   YZ=              4.1808
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             10.6412  YYY=              4.2989  ZZZ=             -1.2300  XYY=              1.5174
  XXY=             -5.0895  XXZ=             10.7661  XZZ=            -10.6557  YZZ=              1.3020
  YYZ=              3.6366  XYZ=             -5.2525
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1144.5853 YYYY=           -390.3542 ZZZZ=           -119.7555 XXXY=              6.3431
 XXXZ=            -11.1837 YYYX=            -11.5972 YYYZ=             13.9606 ZZZX=              1.9522
 ZZZY=              0.6102 XXYY=           -254.8911 XXZZ=           -226.8502 YYZZ=            -94.8516
 XXYZ=             21.8092 YYXZ=             -8.0652 ZZXY=             -2.8643
 N-N= 4.253601437934D+02 E-N=-1.745078245625D+03  KE= 3.810283370538D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 11:38:47 2021, MaxMem=  5637144576 cpu:               4.9 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.04765525D-01-3.25934540D-01 4.80616367D-01
 Polarizability= 1.19505687D+02 1.75631899D+00 9.99481783D+01
                 2.10175880D+00 5.58916901D+00 6.41850941D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.0868   -1.0853        0.7259    0.7179
 2      1.0868    1.0853       -2.6659   -2.6658      -10.5084  -10.4876
 3     -0.7259   -0.7179       28.2888   28.2770        2.6657    2.6658
 4      2.6659    2.6658        0.0000    0.0000       -0.7264   -0.7179
 5    -17.7804  -17.7894        0.7264    0.7179       -1.0826   -1.0853
 6     -2.6657   -2.6658        1.0826    1.0853        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        3.2558    3.2558        2.1538    2.1538
 2      7.9974    7.9974       -0.0000    0.0000        2.1538    2.1538
 3      7.9974    7.9974        3.2558    3.2558        0.0000    0.0000
 4      3.2558    3.2558       -7.9974   -7.9974      -31.4627  -31.4627
 5     -2.1538   -2.1538       84.8310   84.8310        7.9974    7.9974
 6    -53.3683  -53.3683        2.1538    2.1538       -3.2558   -3.2558
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2004    0.0000        4.6537    4.3411       -2.7892   -2.8717
 2     -4.6168   -4.3411       10.3592   10.6632       41.3729   41.9503
 3      2.7235    2.8717     -112.9880 -113.1080      -10.7795  -10.6632
 4    -10.2292  -10.6632        0.1861    0.0000        2.8513    2.8717
 5     71.0884   71.1577       -2.3282   -2.8717        4.2644    4.3411
 6     10.6805   10.6632       -4.4378   -4.3411        0.0729    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0737    0.0000        0.7937    0.5839       -9.9600  -10.0714
 2     -0.6186   -0.5839      -40.8272  -41.2158      -19.2833  -19.2033
 3     10.6653   10.0714      -15.1544  -15.1287       41.0628   41.2158
 4     41.1933   41.2158        0.0405    0.0000        9.9987   10.0714
 5     32.8463   34.3320      -11.2790  -10.0714        0.4868    0.5839
 6    -41.2652  -41.2158       -0.8646   -0.5839        0.0534    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     11.6799   11.6267       11.2817   11.3652       17.0378   17.1910
 2     78.6729   78.4432        3.3961    3.1096       17.0204   17.1910
 3     78.8342   78.4432       11.4224   11.3652       20.6424   20.8598
 4      8.1152    8.2556      -66.7645  -66.8165      -21.8526  -22.0778
 5      4.1587    3.6687      -30.9196  -31.1952       66.9507   66.8165
 6     51.1922   53.2730       -5.7706   -3.6687       -7.9293   -8.2556
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.1307   -1.9003   -0.0007   -0.0005    0.0003    5.0110
 Low frequencies ---   31.1155  139.5620  220.3087
 Diagonal vibrational polarizability:
       50.2402029      12.9840523      23.9614559
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     31.0917               139.5619               220.3086
 Red. masses --      3.3798                 3.4142                 2.7288
 Frc consts  --      0.0019                 0.0392                 0.0780
 IR Inten    --      1.0137                 2.0383                 0.5945
 RamAct Fr= 1--      2.5008                 4.1006                 0.1785
  Dep-P Fr= 1--      0.7497                 0.7257                 0.5451
  Dep-U Fr= 1--      0.8570                 0.8410                 0.7056
 Alpha2 Fr= 1--      0.0000                 0.0017                 0.0007
 Beta2  Fr= 1--      0.3572                 0.5748                 0.0210
 AlphaG Fr= 1--      0.0001                 0.0007                -0.0021
 Gamma2 Fr= 1--     -0.5891                -0.1337                 0.0497
 Delta2 Fr= 1--     -0.2400                -0.0477                 0.0452
 Raman1 Fr= 1--      10.003                 16.403                  0.714
 ROA1   Fr= 1--     -64.233                -14.358                  6.215
 CID1   Fr= 1--      -6.421                 -0.875                  8.703
 Raman2 Fr= 1--       4.286                  6.897                  0.252
 ROA2   Fr= 1--     -12.218                 -2.827                  0.830
 CID2   Fr= 1--      -2.851                 -0.410                  3.294
 Raman3 Fr= 1--       8.573                 13.795                  0.504
 ROA3   Fr= 1--     -64.233                -14.358                  6.215
 CID3   Fr= 1--      -7.493                 -1.041                 12.334
 RC180  Fr= 1--       0.714                  0.682                  0.411
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01   0.05   0.21    -0.06  -0.00   0.08     0.18   0.07   0.05
     2   6    -0.00   0.04  -0.02    -0.02   0.02  -0.04    -0.02  -0.03  -0.00
     3   1     0.11  -0.06   0.25     0.16   0.02   0.08     0.24   0.03   0.07
     4   1     0.01   0.24  -0.10    -0.17   0.02  -0.01    -0.13   0.01   0.00
     5   6    -0.04  -0.14  -0.20     0.21  -0.00   0.09    -0.10   0.07   0.03
     6   6     0.00   0.01   0.01    -0.01   0.04  -0.20    -0.01  -0.14  -0.05
     7   1    -0.04  -0.34  -0.12     0.46  -0.03   0.05     0.23  -0.10   0.04
     8   1    -0.08  -0.15  -0.39     0.19  -0.01  -0.04    -0.44  -0.07  -0.17
     9   1    -0.04  -0.07  -0.23     0.17   0.02   0.34    -0.15   0.45   0.23
    10   6     0.03   0.04  -0.14    -0.00   0.03  -0.17    -0.09  -0.09  -0.04
    11   6     0.03   0.03  -0.15    -0.02  -0.02   0.03    -0.11   0.03   0.01
    12   6     0.01   0.01  -0.01    -0.06  -0.06   0.20    -0.03   0.09   0.03
    13   6    -0.02  -0.02   0.14    -0.05  -0.03   0.07     0.08   0.04  -0.01
    14   6    -0.02  -0.02   0.15    -0.02   0.02  -0.14     0.07  -0.08  -0.05
    15   1     0.04   0.05  -0.25     0.02   0.05  -0.24    -0.16  -0.14  -0.08
    16   1     0.04   0.05  -0.27    -0.02  -0.03   0.10    -0.20   0.07   0.03
    17   1     0.01   0.00  -0.01    -0.08  -0.10   0.41    -0.03   0.16   0.07
    18   1    -0.03  -0.04   0.25    -0.07  -0.05   0.17     0.16   0.09   0.00
    19   1    -0.03  -0.04   0.26    -0.03   0.04  -0.20     0.16  -0.13  -0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --    255.6224               287.8783               325.9364
 Red. masses --      1.2689                 1.0418                 3.3800
 Frc consts  --      0.0488                 0.0509                 0.2116
 IR Inten    --      4.7238               123.4820                 0.4163
 RamAct Fr= 1--      0.1774                 0.3061                 1.9222
  Dep-P Fr= 1--      0.7295                 0.7449                 0.1118
  Dep-U Fr= 1--      0.8436                 0.8538                 0.2011
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0327
 Beta2  Fr= 1--      0.0249                 0.0436                 0.0644
 AlphaG Fr= 1--     -0.0007                -0.0008                 0.0052
 Gamma2 Fr= 1--     -0.0275                 0.0228                -0.0571
 Delta2 Fr= 1--     -0.1080                 0.1141                 0.0160
 Raman1 Fr= 1--       0.710                  1.224                  7.689
 ROA1   Fr= 1--      -6.093                  5.840                 -4.973
 CID1   Fr= 1--      -8.587                  4.769                 -0.647
 Raman2 Fr= 1--       0.299                  0.523                  0.773
 ROA2   Fr= 1--       0.205                 -0.366                 -1.499
 CID2   Fr= 1--       0.684                 -0.700                 -1.938
 Raman3 Fr= 1--       0.599                  1.045                  1.546
 ROA3   Fr= 1--      -6.093                  5.840                 -4.973
 CID3   Fr= 1--     -10.178                  5.586                 -3.216
 RC180  Fr= 1--       0.687                  0.708                 -0.598
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.04  -0.02  -0.06    -0.02  -0.02  -0.00     0.15   0.09  -0.03
     2   6     0.00   0.00  -0.01    -0.01  -0.01   0.01     0.03   0.04  -0.08
     3   1     0.10   0.11  -0.10     0.87   0.43  -0.13     0.12   0.03  -0.01
     4   1     0.03  -0.02  -0.00    -0.01   0.01   0.01    -0.01   0.08  -0.09
     5   6     0.04  -0.03  -0.00    -0.02  -0.03  -0.00     0.25  -0.02  -0.03
     6   6    -0.01   0.03   0.03    -0.01   0.00   0.00    -0.03  -0.03  -0.00
     7   1     0.50  -0.35   0.04    -0.13   0.02  -0.00     0.22   0.09  -0.07
     8   1    -0.31  -0.16  -0.41     0.06   0.00   0.06     0.54   0.10   0.02
     9   1    -0.03   0.38   0.32     0.00  -0.10  -0.08     0.25  -0.35   0.07
    10   6     0.01   0.02   0.05     0.00   0.00  -0.00    -0.11  -0.03   0.10
    11   6     0.02  -0.00   0.01    -0.00   0.00   0.01    -0.12   0.00   0.03
    12   6     0.01  -0.01  -0.04     0.00   0.00   0.00    -0.11   0.03  -0.13
    13   6    -0.02  -0.00   0.00    -0.00   0.01  -0.02    -0.08  -0.02   0.03
    14   6    -0.03   0.02   0.05    -0.00   0.01   0.00    -0.08  -0.07   0.11
    15   1     0.04   0.04   0.07     0.04   0.03  -0.03    -0.15  -0.07   0.14
    16   1     0.04  -0.01   0.00    -0.00   0.00   0.02    -0.12  -0.00   0.04
    17   1     0.01  -0.02  -0.10     0.00   0.00  -0.00    -0.09   0.07  -0.28
    18   1    -0.04  -0.01  -0.01    -0.00   0.01  -0.04    -0.05  -0.01   0.06
    19   1    -0.05   0.03   0.07    -0.00   0.01   0.01    -0.09  -0.08   0.19
                      7                      8                      9
                      A                      A                      A
 Frequencies --    397.2469               414.6626               467.3430
 Red. masses --      4.5432                 2.9593                 2.9733
 Frc consts  --      0.4224                 0.2998                 0.3826
 IR Inten    --      7.5308                 1.3417                 2.8514
 RamAct Fr= 1--      1.7121                 0.0077                 2.6560
  Dep-P Fr= 1--      0.5109                 0.6762                 0.1435
  Dep-U Fr= 1--      0.6763                 0.8068                 0.2510
 Alpha2 Fr= 1--      0.0080                 0.0000                 0.0417
 Beta2  Fr= 1--      0.1930                 0.0010                 0.1111
 AlphaG Fr= 1--     -0.0080                -0.0007                 0.0130
 Gamma2 Fr= 1--      0.3672                -0.0769                 0.1076
 Delta2 Fr= 1--      0.0429                -0.0173                -0.1247
 Raman1 Fr= 1--       6.848                  0.031                 10.624
 ROA1   Fr= 1--      36.621                 -7.932                  6.339
 CID1   Fr= 1--       5.347               -257.366                  0.597
 Raman2 Fr= 1--       2.316                  0.012                  1.333
 ROA2   Fr= 1--       8.470                 -1.706                  3.581
 CID2   Fr= 1--       3.658               -137.239                  2.686
 Raman3 Fr= 1--       4.631                  0.025                  2.666
 ROA3   Fr= 1--      36.621                 -7.932                  6.339
 CID3   Fr= 1--       7.907               -318.982                  2.378
 RC180  Fr= 1--       0.353                  0.614                 -0.498
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.28  -0.01  -0.09    -0.01  -0.00   0.01    -0.07   0.19  -0.11
     2   6     0.08  -0.07   0.16    -0.00   0.00  -0.01    -0.13   0.11   0.10
     3   1    -0.06   0.02  -0.11     0.13   0.05  -0.01    -0.24   0.33  -0.16
     4   1     0.17  -0.16   0.17    -0.01   0.00  -0.01    -0.14   0.09   0.12
     5   6    -0.04  -0.17   0.05    -0.01   0.01  -0.00     0.02  -0.12   0.04
     6   6    -0.01   0.07   0.14     0.00  -0.01  -0.02    -0.05  -0.08   0.07
     7   1    -0.14  -0.36   0.15    -0.00   0.02  -0.01     0.01  -0.35   0.13
     8   1    -0.04  -0.17  -0.11    -0.00   0.01   0.01     0.31   0.01  -0.28
     9   1    -0.02  -0.15  -0.08    -0.01   0.02   0.00     0.03  -0.41   0.11
    10   6    -0.01   0.13  -0.05    -0.03  -0.05   0.22     0.01  -0.10  -0.03
    11   6    -0.01   0.06  -0.09     0.02   0.03  -0.19     0.01  -0.03  -0.05
    12   6    -0.13  -0.04   0.12     0.01   0.01  -0.01     0.07   0.01   0.07
    13   6    -0.13   0.00  -0.06    -0.02  -0.03   0.21     0.08   0.03  -0.02
    14   6    -0.10   0.08  -0.11     0.03   0.03  -0.20     0.06  -0.04  -0.02
    15   1     0.00   0.14  -0.15    -0.05  -0.08   0.45     0.01  -0.09  -0.08
    16   1     0.09   0.03  -0.21     0.04   0.08  -0.43    -0.06   0.02  -0.12
    17   1    -0.14  -0.12   0.25     0.01   0.02  -0.04     0.07   0.04   0.13
    18   1    -0.14   0.00  -0.14    -0.04  -0.07   0.45     0.10   0.04  -0.09
    19   1    -0.18   0.17  -0.28     0.06   0.07  -0.42     0.16  -0.07  -0.09
                     10                     11                     12
                      A                      A                      A
 Frequencies --    529.4549               613.8005               638.1778
 Red. masses --      3.4072                 3.2970                 6.3662
 Frc consts  --      0.5627                 0.7318                 1.5276
 IR Inten    --     20.8339                 7.1382                 0.0719
 RamAct Fr= 1--      2.0365                 1.2338                 4.0851
  Dep-P Fr= 1--      0.2616                 0.7470                 0.7493
  Dep-U Fr= 1--      0.4147                 0.8552                 0.8567
 Alpha2 Fr= 1--      0.0234                 0.0001                 0.0000
 Beta2  Fr= 1--      0.1407                 0.1759                 0.5833
 AlphaG Fr= 1--     -0.0150                -0.0007                 0.0006
 Gamma2 Fr= 1--     -0.3285                 0.0131                 0.1150
 Delta2 Fr= 1--     -0.2166                 0.0671                 0.0015
 Raman1 Fr= 1--       8.146                  4.935                 16.340
 ROA1   Fr= 1--     -38.466                  3.404                 11.084
 CID1   Fr= 1--      -4.722                  0.690                  0.678
 Raman2 Fr= 1--       1.689                  2.110                  6.999
 ROA2   Fr= 1--      -6.151                 -0.223                  2.747
 CID2   Fr= 1--      -3.642                 -0.105                  0.392
 Raman3 Fr= 1--       3.378                  4.221                 13.999
 ROA3   Fr= 1--     -38.466                  3.404                 11.084
 CID3   Fr= 1--     -11.388                  0.806                  0.792
 RC180  Fr= 1--      -0.171                  0.710                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.11  -0.04   0.03    -0.09   0.01  -0.03    -0.00   0.03   0.00
     2   6     0.11   0.06  -0.03     0.16   0.10   0.19     0.01   0.00   0.02
     3   1     0.08   0.01   0.02    -0.14   0.26  -0.12     0.03   0.05  -0.01
     4   1     0.28   0.13  -0.09     0.16   0.03   0.22     0.01   0.00   0.02
     5   6     0.10   0.14  -0.09     0.01   0.01  -0.00    -0.01   0.00   0.00
     6   6     0.04  -0.08   0.25     0.16  -0.01  -0.07    -0.00   0.14   0.02
     7   1     0.17   0.21  -0.13    -0.26  -0.26   0.15    -0.02  -0.03   0.02
     8   1     0.04   0.11  -0.02    -0.08  -0.02  -0.17    -0.01   0.00  -0.03
     9   1     0.09   0.22  -0.05     0.06   0.12  -0.34    -0.00   0.01  -0.02
    10   6    -0.04  -0.02   0.02     0.00   0.04  -0.05    -0.25   0.20   0.00
    11   6    -0.05   0.04  -0.12    -0.05   0.07   0.08    -0.24  -0.24  -0.06
    12   6    -0.10  -0.02   0.15    -0.14   0.03  -0.11     0.00  -0.14  -0.03
    13   6     0.02  -0.03  -0.12    -0.00  -0.10   0.05     0.26  -0.23  -0.00
    14   6     0.01  -0.09   0.01     0.03  -0.14  -0.08     0.23   0.21   0.05
    15   1    -0.10  -0.04  -0.25    -0.16  -0.07   0.07    -0.10   0.29   0.04
    16   1    -0.00   0.07  -0.40    -0.00  -0.01   0.30    -0.09  -0.33  -0.04
    17   1    -0.11   0.01   0.20    -0.15   0.04  -0.05    -0.02   0.29   0.04
    18   1     0.12   0.07  -0.38     0.12  -0.05   0.30     0.13  -0.32  -0.01
    19   1     0.01  -0.03  -0.26    -0.07  -0.13   0.08     0.07   0.29   0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    714.0793               755.9441               781.3334
 Red. masses --      1.7922                 2.8187                 2.1314
 Frc consts  --      0.5384                 0.9490                 0.7666
 IR Inten    --     39.6210                17.1668                17.2825
 RamAct Fr= 1--      0.0410                 9.9503                 5.0221
  Dep-P Fr= 1--      0.2121                 0.0369                 0.1431
  Dep-U Fr= 1--      0.3500                 0.0712                 0.2504
 Alpha2 Fr= 1--      0.0005                 0.2027                 0.0790
 Beta2  Fr= 1--      0.0024                 0.1181                 0.2096
 AlphaG Fr= 1--      0.0023                -0.0443                 0.0116
 Gamma2 Fr= 1--      0.0458                 1.1176                 0.7228
 Delta2 Fr= 1--      0.0035                 0.2929                -0.0494
 Raman1 Fr= 1--       0.164                 39.801                 20.088
 ROA1   Fr= 1--       4.506                116.662                 67.811
 CID1   Fr= 1--      27.461                  2.931                  3.376
 Raman2 Fr= 1--       0.029                  1.417                  2.515
 ROA2   Fr= 1--       1.070                 24.479                 17.744
 CID2   Fr= 1--      37.265                 17.275                  7.055
 Raman3 Fr= 1--       0.057                  2.834                  5.030
 ROA3   Fr= 1--       4.506                116.662                 67.811
 CID3   Fr= 1--      78.463                 41.164                 13.482
 RC180  Fr= 1--      -0.300                 -0.858                 -0.499
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.01  -0.06   0.01    -0.00   0.04  -0.00
     2   6     0.00   0.00   0.00     0.08   0.03   0.09    -0.09  -0.04  -0.09
     3   1     0.01   0.02  -0.01    -0.02   0.05  -0.04     0.07  -0.07   0.04
     4   1    -0.04  -0.01   0.02     0.19   0.00   0.07     0.04   0.08  -0.16
     5   6    -0.00  -0.00   0.00     0.07   0.08  -0.06    -0.04  -0.04   0.01
     6   6     0.02   0.02  -0.10    -0.10  -0.03   0.12     0.02  -0.03   0.18
     7   1    -0.03  -0.02   0.01    -0.02  -0.01  -0.01     0.21   0.16  -0.12
     8   1    -0.02  -0.01   0.00     0.03   0.07  -0.12     0.06   0.00   0.14
     9   1     0.00   0.01  -0.03     0.09   0.14  -0.19    -0.09  -0.16   0.33
    10   6    -0.01  -0.00   0.08    -0.03  -0.11  -0.10     0.03   0.08  -0.04
    11   6     0.02   0.03  -0.14    -0.06  -0.13  -0.02     0.04   0.08   0.02
    12   6    -0.02  -0.01   0.07     0.13   0.03  -0.08    -0.05   0.01  -0.11
    13   6     0.02   0.02  -0.14    -0.06   0.11   0.03     0.03  -0.07  -0.00
    14   6    -0.01  -0.02   0.07    -0.04   0.11  -0.07     0.04  -0.04  -0.08
    15   1    -0.05  -0.06   0.49     0.02  -0.10   0.09    -0.01   0.05  -0.01
    16   1    -0.01  -0.03   0.19    -0.28  -0.12   0.41     0.10  -0.04   0.42
    17   1    -0.08  -0.10   0.56     0.07  -0.05   0.42    -0.11  -0.10   0.44
    18   1    -0.01  -0.04   0.20    -0.24  -0.05   0.42     0.07  -0.10   0.42
    19   1    -0.06  -0.10   0.50     0.03   0.03   0.11    -0.02  -0.03   0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    856.9221               913.0837               922.4709
 Red. masses --      1.2493                 2.2620                 1.3763
 Frc consts  --      0.5405                 1.1111                 0.6901
 IR Inten    --      0.1375                 9.6157                 1.7389
 RamAct Fr= 1--      0.6800                 2.3359                 0.6843
  Dep-P Fr= 1--      0.7472                 0.7238                 0.3206
  Dep-U Fr= 1--      0.8553                 0.8397                 0.4855
 Alpha2 Fr= 1--      0.0000                 0.0011                 0.0066
 Beta2  Fr= 1--      0.0969                 0.3269                 0.0554
 AlphaG Fr= 1--      0.0003                -0.0094                -0.0072
 Gamma2 Fr= 1--     -0.1816                -2.4393                -0.7082
 Delta2 Fr= 1--     -0.0594                -1.4165                 0.2293
 Raman1 Fr= 1--       2.720                  9.344                  2.737
 ROA1   Fr= 1--     -19.329               -279.502                -60.651
 CID1   Fr= 1--      -7.107                -29.914                -22.160
 Raman2 Fr= 1--       1.163                  3.923                  0.664
 ROA2   Fr= 1--      -3.883                -47.212                -18.831
 CID2   Fr= 1--      -3.338                -12.034                -28.343
 Raman3 Fr= 1--       2.326                  7.846                  1.329
 ROA3   Fr= 1--     -19.329               -279.502                -60.651
 CID3   Fr= 1--      -8.309                -35.622                -45.644
 RC180  Fr= 1--       0.711                  0.679                 -0.029
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00     0.07  -0.14   0.01    -0.00   0.00   0.00
     2   6     0.00   0.00  -0.00    -0.16   0.02   0.07     0.01   0.00  -0.01
     3   1    -0.02  -0.00   0.00     0.03  -0.07  -0.02    -0.01  -0.03   0.01
     4   1     0.01   0.00  -0.00    -0.26  -0.19   0.17    -0.10  -0.07   0.04
     5   6     0.00  -0.00   0.00     0.00   0.18  -0.07     0.01   0.00   0.02
     6   6     0.00  -0.00   0.01    -0.04  -0.01  -0.00     0.01   0.01  -0.06
     7   1    -0.00   0.00  -0.00     0.03  -0.22   0.07    -0.09  -0.08   0.07
     8   1    -0.01  -0.01   0.01     0.38   0.35  -0.59    -0.03  -0.01  -0.04
     9   1     0.00   0.00  -0.01     0.02  -0.22  -0.04     0.03   0.04  -0.11
    10   6    -0.01  -0.01   0.07     0.01   0.04   0.01    -0.02  -0.01   0.09
    11   6    -0.01  -0.01   0.07     0.04   0.06   0.02     0.00  -0.00   0.01
    12   6     0.00  -0.00   0.01    -0.03  -0.01  -0.00     0.02   0.02  -0.10
    13   6     0.01   0.02  -0.07     0.04  -0.05  -0.01     0.00   0.00  -0.01
    14   6     0.01   0.02  -0.08     0.01  -0.01  -0.00    -0.01  -0.02   0.09
    15   1     0.04   0.06  -0.47     0.02   0.05   0.02     0.04   0.06  -0.52
    16   1     0.06   0.08  -0.49     0.12   0.03  -0.02     0.01   0.01  -0.06
    17   1     0.01   0.00  -0.04    -0.02  -0.01  -0.02    -0.06  -0.11   0.60
    18   1    -0.06  -0.09   0.46     0.08  -0.03   0.04    -0.01  -0.01   0.04
    19   1    -0.05  -0.10   0.52     0.03  -0.03   0.02     0.05   0.10  -0.49
                     19                     20                     21
                      A                      A                      A
 Frequencies --    961.3666               978.6806              1024.9496
 Red. masses --      1.3481                 1.2415                 6.0437
 Frc consts  --      0.7341                 0.7006                 3.7408
 IR Inten    --      0.1607                 0.2299                 0.3631
 RamAct Fr= 1--      0.1675                 0.1491                45.8910
  Dep-P Fr= 1--      0.1979                 0.1747                 0.0499
  Dep-U Fr= 1--      0.3303                 0.2975                 0.0951
 Alpha2 Fr= 1--      0.0023                 0.0022                 0.9066
 Beta2  Fr= 1--      0.0092                 0.0074                 0.7274
 AlphaG Fr= 1--      0.0053                 0.0047                 0.0149
 Gamma2 Fr= 1--      0.2671                 0.1905                 0.0466
 Delta2 Fr= 1--     -0.0748                -0.0647                 0.0784
 Raman1 Fr= 1--       0.670                  0.596                183.564
 ROA1   Fr= 1--      23.245                 16.217                  6.984
 CID1   Fr= 1--      34.698                 27.193                  0.038
 Raman2 Fr= 1--       0.111                  0.089                  8.729
 ROA2   Fr= 1--       7.008                  5.090                  0.492
 CID2   Fr= 1--      63.333                 57.382                  0.056
 Raman3 Fr= 1--       0.221                  0.177                 17.459
 ROA3   Fr= 1--      23.245                 16.217                  6.984
 CID3   Fr= 1--     105.036                 91.416                  0.400
 RC180  Fr= 1--      -0.339                 -0.405                 -0.810
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.01  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.02   0.01
     3   1     0.01   0.01  -0.00     0.00  -0.02   0.01     0.03  -0.01   0.01
     4   1     0.02   0.01  -0.01    -0.02  -0.02   0.01    -0.05  -0.04   0.02
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.01     0.03   0.01  -0.01
     6   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00   0.01
     7   1     0.01   0.01  -0.01    -0.02  -0.03   0.02    -0.03  -0.00   0.00
     8   1     0.00  -0.00   0.02    -0.00   0.00  -0.02    -0.03  -0.02   0.01
     9   1    -0.01   0.00   0.02     0.01   0.00  -0.02     0.03   0.05  -0.08
    10   6     0.01   0.01  -0.08    -0.01  -0.00   0.05    -0.21   0.34   0.02
    11   6    -0.01  -0.02   0.07     0.01   0.02  -0.09    -0.01  -0.04   0.00
    12   6    -0.01  -0.00   0.02    -0.00  -0.01   0.08     0.37   0.02   0.05
    13   6     0.01   0.02  -0.10     0.01   0.01  -0.06    -0.02   0.04   0.01
    14   6    -0.01  -0.01   0.09    -0.00  -0.01   0.02    -0.16  -0.35  -0.08
    15   1    -0.02  -0.05   0.43     0.02   0.05  -0.39    -0.14   0.39   0.14
    16   1     0.03   0.06  -0.37    -0.06  -0.10   0.58     0.04  -0.04  -0.05
    17   1     0.01   0.03  -0.11     0.07   0.08  -0.50     0.38   0.00   0.06
    18   1    -0.06  -0.10   0.59    -0.05  -0.08   0.40     0.02   0.04   0.01
    19   1     0.05   0.10  -0.50     0.02   0.04  -0.21    -0.08  -0.41  -0.07
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1030.6125              1052.8848              1068.1301
 Red. masses --      1.9719                 2.1783                 1.6872
 Frc consts  --      1.2340                 1.4227                 1.1341
 IR Inten    --     32.1969                24.2766                11.4777
 RamAct Fr= 1--      3.9004                18.4610                 5.6748
  Dep-P Fr= 1--      0.3845                 0.0518                 0.3219
  Dep-U Fr= 1--      0.5554                 0.0985                 0.4870
 Alpha2 Fr= 1--      0.0305                 0.3631                 0.0545
 Beta2  Fr= 1--      0.3611                 0.3029                 0.4606
 AlphaG Fr= 1--      0.0100                -0.0177                -0.0372
 Gamma2 Fr= 1--      0.6667                -0.5163                -0.1921
 Delta2 Fr= 1--      1.1354                -0.4112                 0.5059
 Raman1 Fr= 1--      15.601                 73.844                 22.699
 ROA1   Fr= 1--     100.337                -62.728                 -2.248
 CID1   Fr= 1--       6.431                 -0.849                 -0.099
 Raman2 Fr= 1--       4.333                  3.635                  5.527
 ROA2   Fr= 1--       6.918                 -9.102                 -8.657
 CID2   Fr= 1--       1.597                 -2.504                 -1.566
 Raman3 Fr= 1--       8.666                  7.271                 11.055
 ROA3   Fr= 1--     100.337                -62.728                 -2.248
 CID3   Fr= 1--      11.579                 -8.628                 -0.203
 RC180  Fr= 1--       0.111                 -0.803                 -0.026
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.04  -0.11   0.00    -0.03   0.03  -0.00     0.02  -0.01   0.01
     2   6     0.04   0.17   0.02     0.02  -0.03  -0.07    -0.07  -0.06   0.13
     3   1    -0.08   0.12  -0.09     0.13  -0.25   0.11    -0.24   0.42  -0.16
     4   1     0.32   0.37  -0.13    -0.01  -0.18   0.01    -0.14   0.16   0.06
     5   6    -0.13  -0.03  -0.00    -0.02   0.03   0.05     0.06  -0.03  -0.12
     6   6     0.07   0.03  -0.06     0.05  -0.01   0.03    -0.04  -0.01  -0.03
     7   1     0.27   0.08  -0.11    -0.09  -0.22   0.16     0.16   0.39  -0.30
     8   1     0.21   0.11   0.05     0.08   0.08  -0.20    -0.10  -0.10   0.28
     9   1    -0.20  -0.34   0.53     0.00  -0.12  -0.04     0.02   0.24   0.01
    10   6     0.00  -0.01   0.02     0.04   0.06   0.01     0.01   0.04   0.02
    11   6    -0.04  -0.07  -0.02    -0.02  -0.17  -0.03     0.02  -0.04  -0.01
    12   6     0.01   0.02  -0.00    -0.12  -0.01  -0.02    -0.06  -0.01  -0.01
    13   6    -0.02   0.04   0.01    -0.05   0.18   0.03     0.01   0.06   0.01
    14   6    -0.02  -0.03   0.01     0.05  -0.04  -0.01     0.03  -0.02   0.01
    15   1     0.04   0.03  -0.11     0.26   0.20   0.08     0.15   0.13  -0.05
    16   1    -0.07  -0.05  -0.01     0.26  -0.33  -0.02     0.21  -0.14   0.01
    17   1     0.00   0.09   0.05    -0.13  -0.05  -0.03    -0.07  -0.06  -0.02
    18   1     0.02   0.07  -0.01     0.20   0.35   0.09     0.15   0.15   0.05
    19   1    -0.03  -0.01  -0.06     0.32  -0.18   0.03     0.20  -0.09  -0.06
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1096.7204              1126.5183              1185.0647
 Red. masses --      1.8986                 2.1074                 1.1172
 Frc consts  --      1.3455                 1.5757                 0.9244
 IR Inten    --     27.8142                29.7377                 0.2513
 RamAct Fr= 1--      4.3565                 4.4697                 4.1916
  Dep-P Fr= 1--      0.2161                 0.1121                 0.7491
  Dep-U Fr= 1--      0.3554                 0.2016                 0.8566
 Alpha2 Fr= 1--      0.0567                 0.0760                 0.0001
 Beta2  Fr= 1--      0.2581                 0.1502                 0.5984
 AlphaG Fr= 1--     -0.0034                -0.0055                -0.0005
 Gamma2 Fr= 1--      0.6273                -0.8361                 0.1142
 Delta2 Fr= 1--      0.1993                -0.2036                 0.1461
 Raman1 Fr= 1--      17.426                 17.879                 16.767
 ROA1   Fr= 1--      66.597                -86.778                 15.641
 CID1   Fr= 1--       3.822                 -4.854                  0.933
 Raman2 Fr= 1--       3.097                  1.802                  7.181
 ROA2   Fr= 1--      13.460                -18.438                  1.573
 CID2   Fr= 1--       4.347                -10.230                  0.219
 Raman3 Fr= 1--       6.193                  3.605                 14.362
 ROA3   Fr= 1--      66.597                -86.778                 15.641
 CID3   Fr= 1--      10.753                -24.075                  1.089
 RC180  Fr= 1--      -0.289                 -0.597                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.04  -0.06  -0.00     0.04  -0.09  -0.00    -0.00   0.00  -0.00
     2   6    -0.05   0.12  -0.06    -0.03   0.19  -0.08     0.00  -0.00   0.00
     3   1    -0.03  -0.05  -0.01    -0.05   0.06  -0.07     0.01  -0.01   0.01
     4   1    -0.12   0.08  -0.03    -0.12   0.27  -0.10     0.02  -0.02   0.00
     5   6     0.06  -0.04   0.05     0.04  -0.05   0.08    -0.00  -0.00  -0.00
     6   6    -0.08   0.05   0.03    -0.07  -0.03   0.03    -0.01   0.00  -0.00
     7   1    -0.20  -0.03   0.09    -0.24  -0.07   0.14     0.01   0.01  -0.01
     8   1    -0.20  -0.14   0.10    -0.19  -0.14   0.09     0.00   0.00   0.00
     9   1     0.08   0.19  -0.21     0.06   0.16  -0.17    -0.00   0.00   0.00
    10   6     0.09  -0.03   0.00    -0.09   0.02  -0.02    -0.01  -0.01  -0.00
    11   6    -0.02  -0.05  -0.01     0.06   0.05   0.02     0.05  -0.02   0.00
    12   6    -0.03   0.07   0.01    -0.01  -0.06  -0.01    -0.01   0.07   0.01
    13   6     0.08  -0.06  -0.00    -0.02   0.03   0.00    -0.04  -0.02  -0.01
    14   6    -0.07  -0.06  -0.03     0.08   0.02   0.01     0.01  -0.01  -0.00
    15   1     0.46   0.20   0.07    -0.31  -0.11   0.01    -0.15  -0.10  -0.02
    16   1    -0.12  -0.01   0.01     0.27  -0.06   0.02     0.45  -0.23   0.01
    17   1    -0.05   0.47   0.07     0.01  -0.41  -0.08    -0.04   0.65   0.11
    18   1     0.33   0.09   0.06    -0.09  -0.02  -0.00    -0.39  -0.24  -0.09
    19   1    -0.25   0.01   0.00     0.43  -0.16   0.03     0.17  -0.09  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1206.0194              1218.8630              1284.3630
 Red. masses --      1.1768                 2.0955                 1.6500
 Frc consts  --      1.0085                 1.8342                 1.6036
 IR Inten    --      2.9172                19.5853                 8.9940
 RamAct Fr= 1--      7.7052                 9.9883                 5.5895
  Dep-P Fr= 1--      0.3816                 0.0972                 0.0524
  Dep-U Fr= 1--      0.5524                 0.1771                 0.0997
 Alpha2 Fr= 1--      0.0609                 0.1761                 0.1098
 Beta2  Fr= 1--      0.7094                 0.2949                 0.0928
 AlphaG Fr= 1--      0.0193                -0.0387                -0.0208
 Gamma2 Fr= 1--     -0.2059                -0.7420                -0.2518
 Delta2 Fr= 1--     -0.0468                 0.2054                 0.3397
 Raman1 Fr= 1--      30.821                 39.953                 22.358
 ROA1   Fr= 1--     -21.268                -64.663                -13.302
 CID1   Fr= 1--      -0.690                 -1.618                 -0.595
 Raman2 Fr= 1--       8.513                  3.539                  1.114
 ROA2   Fr= 1--      -4.568                -19.452                 -8.761
 CID2   Fr= 1--      -0.537                 -5.497                 -7.864
 Raman3 Fr= 1--      17.026                  7.077                  2.228
 ROA3   Fr= 1--     -21.268                -64.663                -13.302
 CID3   Fr= 1--      -1.249                 -9.137                 -5.970
 RC180  Fr= 1--       0.105                 -0.646                 -0.801
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.01  -0.00     0.02  -0.03   0.01    -0.00  -0.01   0.04
     2   6     0.03   0.00   0.01    -0.10  -0.00  -0.05     0.11  -0.11  -0.08
     3   1     0.02  -0.07   0.03    -0.16   0.27  -0.11    -0.32   0.57  -0.19
     4   1     0.13  -0.04   0.01    -0.58   0.13  -0.01    -0.08   0.42  -0.26
     5   6    -0.01  -0.00  -0.00     0.03   0.00   0.00    -0.03   0.05   0.07
     6   6    -0.07   0.01  -0.01     0.23  -0.05   0.06    -0.08  -0.08  -0.01
     7   1     0.03   0.02  -0.02    -0.10   0.00   0.02     0.01  -0.18   0.14
     8   1     0.03   0.01   0.01    -0.09  -0.05  -0.01     0.08   0.10  -0.20
     9   1    -0.01   0.00   0.03     0.03   0.04  -0.08     0.01  -0.16  -0.10
    10   6     0.03   0.02   0.01     0.07   0.04   0.01     0.00   0.02   0.00
    11   6    -0.02   0.04   0.00    -0.09  -0.04  -0.02     0.00   0.03   0.00
    12   6    -0.01   0.00  -0.00     0.02  -0.01   0.00    -0.00  -0.02  -0.00
    13   6    -0.03  -0.04  -0.01    -0.07   0.05   0.00     0.04  -0.00   0.00
    14   6     0.05  -0.03   0.00     0.03   0.01  -0.00    -0.04   0.03  -0.00
    15   1     0.44   0.28   0.06     0.04   0.02   0.03     0.19   0.14   0.04
    16   1    -0.36   0.21  -0.00    -0.34   0.09  -0.02     0.14  -0.04   0.02
    17   1    -0.01  -0.04  -0.01     0.01   0.10   0.02    -0.01   0.06   0.01
    18   1    -0.34  -0.23  -0.08    -0.46  -0.19  -0.08     0.01  -0.02  -0.00
    19   1     0.51  -0.26  -0.00    -0.08   0.07   0.01    -0.05   0.03   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1328.7028              1342.9850              1359.6651
 Red. masses --      1.9455                 2.2933                 1.4856
 Frc consts  --      2.0236                 2.4370                 1.6181
 IR Inten    --     11.6539                 5.0029                 0.3975
 RamAct Fr= 1--      7.9308                 2.8557                 0.7790
  Dep-P Fr= 1--      0.2961                 0.4071                 0.3588
  Dep-U Fr= 1--      0.4569                 0.5786                 0.5281
 Alpha2 Fr= 1--      0.0823                 0.0206                 0.0066
 Beta2  Fr= 1--      0.6040                 0.2754                 0.0686
 AlphaG Fr= 1--      0.0130                -0.0329                -0.0103
 Gamma2 Fr= 1--      0.3040                -0.6106                -0.1013
 Delta2 Fr= 1--     -0.8372                -0.5831                -0.0487
 Raman1 Fr= 1--      31.723                 11.423                  3.116
 ROA1   Fr= 1--       2.391                -77.277                -11.281
 CID1   Fr= 1--       0.075                 -6.765                 -3.620
 Raman2 Fr= 1--       7.248                  3.305                  0.823
 ROA2   Fr= 1--      13.993                 -9.990                 -2.041
 CID2   Fr= 1--       1.931                 -3.023                 -2.480
 Raman3 Fr= 1--      14.495                  6.609                  1.646
 ROA3   Fr= 1--       2.391                -77.277                -11.281
 CID3   Fr= 1--       0.165                -11.692                 -6.855
 RC180  Fr= 1--      -0.086                  0.157                  0.056
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.02   0.00   0.01    -0.00   0.01  -0.03     0.00  -0.00   0.01
     2   6    -0.14  -0.11  -0.00    -0.12  -0.01   0.07     0.03  -0.01  -0.02
     3   1    -0.07   0.16  -0.05     0.16  -0.32   0.10    -0.03   0.11  -0.03
     4   1     0.61   0.34  -0.34     0.65   0.34  -0.23    -0.11  -0.11   0.05
     5   6     0.04   0.04   0.05     0.05   0.01   0.02    -0.02  -0.01   0.01
     6   6     0.05   0.15   0.00     0.03  -0.16  -0.06    -0.02   0.05   0.01
     7   1    -0.13  -0.04   0.10    -0.14  -0.01   0.06     0.05   0.04  -0.03
     8   1    -0.09  -0.00  -0.19    -0.08  -0.03  -0.03     0.06   0.02  -0.04
     9   1     0.08   0.00  -0.18     0.06   0.09  -0.08    -0.01   0.02  -0.02
    10   6    -0.02  -0.04  -0.00     0.08   0.06   0.02     0.11   0.04   0.02
    11   6     0.05  -0.06  -0.00    -0.11   0.06  -0.00    -0.03   0.00  -0.00
    12   6    -0.00   0.06   0.01     0.01  -0.11  -0.02     0.01  -0.10  -0.02
    13   6    -0.07  -0.04  -0.02     0.10   0.07   0.03     0.03  -0.00   0.00
    14   6     0.06  -0.05   0.00    -0.09   0.05   0.00    -0.11   0.03  -0.01
    15   1    -0.17  -0.13  -0.05     0.02   0.03  -0.01    -0.46  -0.31  -0.08
    16   1    -0.25   0.10  -0.02     0.19  -0.09   0.01    -0.26   0.12  -0.01
    17   1    -0.00  -0.02  -0.00    -0.00   0.09   0.02    -0.02   0.31   0.05
    18   1     0.12   0.08   0.03    -0.19  -0.11  -0.05     0.24   0.13   0.05
    19   1     0.12  -0.08  -0.02    -0.03   0.02  -0.02     0.50  -0.28   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1407.6928              1412.8236              1484.1459
 Red. masses --      1.2216                 1.2022                 1.7785
 Frc consts  --      1.4262                 1.4138                 2.3082
 IR Inten    --      6.0773                43.5650                 9.6824
 RamAct Fr= 1--      1.0548                 6.6533                 1.6895
  Dep-P Fr= 1--      0.7393                 0.5880                 0.6908
  Dep-U Fr= 1--      0.8501                 0.7405                 0.8171
 Alpha2 Fr= 1--      0.0002                 0.0201                 0.0018
 Beta2  Fr= 1--      0.1495                 0.8212                 0.2301
 AlphaG Fr= 1--     -0.0002                -0.0234                 0.0108
 Gamma2 Fr= 1--     -0.3200                -1.1312                 3.9494
 Delta2 Fr= 1--     -0.2033                 0.8611                -1.4771
 Raman1 Fr= 1--       4.219                 26.613                  6.758
 ROA1   Fr= 1--     -37.223                -81.036                331.874
 CID1   Fr= 1--      -8.822                 -3.045                 49.109
 Raman2 Fr= 1--       1.793                  9.854                  2.761
 ROA2   Fr= 1--      -6.053                -34.037                106.602
 CID2   Fr= 1--      -3.375                 -3.454                 38.610
 Raman3 Fr= 1--       3.587                 19.708                  5.522
 ROA3   Fr= 1--     -37.223                -81.036                331.874
 CID3   Fr= 1--     -10.378                 -4.112                 60.100
 RC180  Fr= 1--       0.700                  0.481                  0.634
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.02    -0.01  -0.00  -0.06    -0.01   0.00   0.00
     2   6    -0.00  -0.00  -0.01     0.04  -0.04   0.07     0.01   0.02   0.00
     3   1    -0.06   0.13  -0.04     0.19  -0.41   0.11    -0.01  -0.01   0.00
     4   1     0.08  -0.15   0.03    -0.44   0.68  -0.11     0.08  -0.05   0.01
     5   6     0.06   0.08  -0.09     0.00   0.03  -0.02     0.03  -0.03   0.01
     6   6    -0.01   0.00  -0.00    -0.01   0.01   0.00     0.02  -0.12  -0.02
     7   1    -0.29  -0.41   0.18     0.01  -0.18   0.07    -0.35   0.25  -0.04
     8   1    -0.39  -0.14   0.38     0.01   0.02   0.16    -0.02  -0.02  -0.29
     9   1    -0.01  -0.37   0.43    -0.00  -0.03   0.05    -0.03   0.08   0.28
    10   6     0.00   0.00   0.00    -0.01   0.00   0.00    -0.09   0.03  -0.00
    11   6     0.00   0.00   0.00     0.03  -0.01   0.00     0.11   0.01   0.02
    12   6    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.01  -0.10  -0.02
    13   6     0.00  -0.00   0.00    -0.02  -0.02  -0.00    -0.12  -0.01  -0.02
    14   6    -0.01   0.00   0.00     0.01   0.01   0.00     0.05   0.06   0.02
    15   1    -0.01  -0.01  -0.00    -0.04  -0.02  -0.01     0.12   0.17   0.04
    16   1    -0.01   0.01   0.00    -0.09   0.05  -0.00    -0.23   0.21   0.01
    17   1    -0.00   0.02   0.00    -0.01   0.08   0.01    -0.02   0.51   0.09
    18   1     0.02   0.01   0.00     0.09   0.05   0.02     0.28   0.25   0.08
    19   1     0.06  -0.03  -0.01     0.06  -0.02  -0.00    -0.05   0.12   0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1493.0922              1493.4677              1534.0705
 Red. masses --      1.1869                 1.0487                 2.1773
 Frc consts  --      1.5589                 1.3781                 3.0190
 IR Inten    --      0.4295                11.4754                 9.5881
 RamAct Fr= 1--      3.7939                 5.5389                 0.3868
  Dep-P Fr= 1--      0.7444                 0.7354                 0.7008
  Dep-U Fr= 1--      0.8535                 0.8475                 0.8240
 Alpha2 Fr= 1--      0.0004                 0.0014                 0.0003
 Beta2  Fr= 1--      0.5397                 0.7824                 0.0531
 AlphaG Fr= 1--     -0.0029                 0.0174                 0.0009
 Gamma2 Fr= 1--     -2.5950                 1.4700                -0.3573
 Delta2 Fr= 1--     -0.0044                 0.9755                 0.2169
 Raman1 Fr= 1--      15.175                 22.156                  1.547
 ROA1   Fr= 1--    -249.264                172.333                -27.357
 CID1   Fr= 1--     -16.425                  7.778                -17.681
 Raman2 Fr= 1--       6.476                  9.389                  0.638
 ROA2   Fr= 1--     -62.245                 27.475                -10.310
 CID2   Fr= 1--      -9.612                  2.926                -16.172
 Raman3 Fr= 1--      12.952                 18.777                  1.275
 ROA3   Fr= 1--    -249.264                172.333                -27.357
 CID3   Fr= 1--     -19.246                  9.178                -21.457
 RC180  Fr= 1--       0.707                  0.695                  0.648
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.00   0.00   0.01    -0.00   0.00  -0.00
     2   6    -0.03   0.03  -0.00    -0.02  -0.01  -0.02    -0.03  -0.00  -0.00
     3   1    -0.00   0.02  -0.01    -0.05   0.08  -0.03    -0.01  -0.01   0.00
     4   1     0.12  -0.09   0.02     0.09  -0.03  -0.04    -0.04  -0.00   0.00
     5   6    -0.04   0.03   0.01    -0.02  -0.02  -0.04    -0.01   0.00   0.00
     6   6     0.00  -0.05  -0.01     0.00  -0.00  -0.00     0.13   0.01   0.02
     7   1     0.58  -0.30   0.02    -0.16  -0.38   0.15     0.08  -0.04   0.00
     8   1    -0.04  -0.01   0.40     0.53   0.20   0.32     0.00   0.00   0.06
     9   1     0.07  -0.15  -0.50    -0.07   0.58   0.16     0.01  -0.00  -0.08
    10   6    -0.03   0.02   0.00    -0.00   0.00   0.00    -0.06  -0.10  -0.02
    11   6     0.05   0.00   0.01     0.01  -0.00   0.00    -0.12   0.09   0.00
    12   6    -0.00  -0.05  -0.01    -0.00  -0.00  -0.00     0.10   0.02   0.02
    13   6    -0.04   0.01  -0.00    -0.01   0.00  -0.00    -0.10  -0.11  -0.03
    14   6     0.04   0.01   0.01     0.01   0.00   0.00    -0.08   0.09   0.01
    15   1     0.01   0.05   0.01     0.00   0.01   0.00     0.38   0.16   0.06
    16   1    -0.12   0.10   0.00    -0.01   0.01  -0.00     0.44  -0.19   0.02
    17   1    -0.02   0.21   0.04    -0.00   0.02   0.00     0.13  -0.04   0.01
    18   1     0.06   0.08   0.02     0.01   0.01   0.00     0.42   0.19   0.08
    19   1    -0.06   0.07   0.00    -0.02   0.01   0.01     0.45  -0.16   0.02
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1629.0041              1650.0597              3026.4562
 Red. masses --      5.5328                 5.5341                 1.0471
 Frc consts  --      8.6505                 8.8776                 5.6507
 IR Inten    --      0.6841                 4.0958                10.9677
 RamAct Fr= 1--      7.5823                29.7962               227.3407
  Dep-P Fr= 1--      0.7291                 0.6376                 0.0363
  Dep-U Fr= 1--      0.8433                 0.7787                 0.0700
 Alpha2 Fr= 1--      0.0027                 0.0606                 4.6396
 Beta2  Fr= 1--      1.0657                 3.8669                 2.6513
 AlphaG Fr= 1--      0.0167                 0.0194                 0.5811
 Gamma2 Fr= 1--     -0.4966                -0.6300                 5.5242
 Delta2 Fr= 1--     -0.0868                 0.2126                 6.7162
 Raman1 Fr= 1--      30.329                119.185                909.363
 ROA1   Fr= 1--     -50.449                -53.677                745.238
 CID1   Fr= 1--      -1.663                 -0.450                  0.820
 Raman2 Fr= 1--      12.789                 46.403                 31.816
 ROA2   Fr= 1--     -11.224                -16.821                 78.851
 CID2   Fr= 1--      -0.878                 -0.362                  2.478
 Raman3 Fr= 1--      25.577                 92.806                 63.632
 ROA3   Fr= 1--     -50.449                -53.677                745.238
 CID3   Fr= 1--      -1.972                 -0.578                 11.712
 RC180  Fr= 1--       0.687                  0.557                 -0.860
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.04   0.00     0.03   0.00   0.01     0.01   0.01   0.03
     3   1     0.01  -0.00   0.00     0.00  -0.00   0.00     0.00   0.01   0.01
     4   1     0.13  -0.05   0.01     0.04   0.02  -0.01    -0.07  -0.14  -0.34
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.01  -0.05
     6   6     0.00  -0.29  -0.05    -0.21  -0.03  -0.03    -0.00   0.00   0.00
     7   1     0.02  -0.01   0.00    -0.03  -0.00   0.01     0.13   0.28   0.69
     8   1    -0.02  -0.01   0.03    -0.01  -0.00  -0.01     0.13  -0.32  -0.02
     9   1     0.01   0.00  -0.03    -0.00  -0.01   0.04    -0.39  -0.02  -0.08
    10   6     0.09   0.20   0.04     0.28   0.10   0.05    -0.00   0.00   0.00
    11   6     0.09  -0.21  -0.02    -0.27   0.06  -0.02    -0.00   0.00   0.00
    12   6    -0.03   0.36   0.06     0.14   0.00   0.02     0.00  -0.00  -0.00
    13   6    -0.05  -0.20  -0.04    -0.27  -0.08  -0.05     0.00  -0.00  -0.00
    14   6    -0.11   0.17   0.02     0.30  -0.07   0.02    -0.00  -0.00  -0.00
    15   1    -0.32  -0.05  -0.03    -0.28  -0.26  -0.07     0.00  -0.00  -0.00
    16   1    -0.26  -0.05  -0.04     0.25  -0.21  -0.00    -0.00  -0.00  -0.00
    17   1     0.02  -0.49  -0.08     0.15   0.02   0.02    -0.00  -0.00   0.00
    18   1     0.22  -0.05   0.02     0.24   0.25   0.07     0.00   0.00   0.00
    19   1     0.30  -0.03   0.02    -0.33   0.26   0.01     0.01   0.01   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3038.2243              3096.6057              3116.6657
 Red. masses --      1.0754                 1.0970                 1.1021
 Frc consts  --      5.8489                 6.1975                 6.3077
 IR Inten    --     19.6066                28.8179                23.8105
 RamAct Fr= 1--     49.4585                97.4605                73.6035
  Dep-P Fr= 1--      0.5629                 0.3255                 0.6848
  Dep-U Fr= 1--      0.7203                 0.4911                 0.8129
 Alpha2 Fr= 1--      0.1754                 0.9249                 0.0844
 Beta2  Fr= 1--      5.9379                 7.9769                 9.9722
 AlphaG Fr= 1--      0.5477                 0.0021                -0.0451
 Gamma2 Fr= 1--      8.1385               -12.3239                -1.5515
 Delta2 Fr= 1--      1.1272               -10.8113                 1.0932
 Raman1 Fr= 1--     197.834                389.842                294.414
 ROA1   Fr= 1--     817.369              -1529.057               -113.965
 CID1   Fr= 1--       4.132                 -3.922                 -0.387
 Raman2 Fr= 1--      71.254                 95.723                119.666
 ROA2   Fr= 1--     186.308               -209.283                -45.982
 CID2   Fr= 1--       2.615                 -2.186                 -0.384
 Raman3 Fr= 1--     142.508                191.446                239.333
 ROA3   Fr= 1--     817.369              -1529.057               -113.965
 CID3   Fr= 1--       5.736                 -7.987                 -0.476
 RC180  Fr= 1--       0.441                 -0.018                  0.626
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     2   6    -0.01  -0.03  -0.07    -0.00  -0.01  -0.02     0.00  -0.00  -0.00
     3   1    -0.00   0.00  -0.02    -0.00   0.00  -0.00     0.00   0.00  -0.00
     4   1     0.17   0.33   0.82     0.03   0.06   0.16    -0.00   0.00   0.00
     5   6     0.01   0.01  -0.01    -0.04  -0.06  -0.05     0.07  -0.06   0.01
     6   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   1     0.03   0.07   0.18     0.10   0.22   0.56     0.02  -0.01   0.01
     8   1     0.10  -0.22  -0.01    -0.20   0.44   0.01    -0.29   0.71   0.03
     9   1    -0.28  -0.01  -0.05     0.59   0.02   0.09    -0.62  -0.04  -0.11
    10   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    11   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    13   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    16   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    18   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
    19   1    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01    -0.03  -0.05  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3160.3657              3169.9116              3179.8401
 Red. masses --      1.0860                 1.0867                 1.0914
 Frc consts  --      6.3905                 6.4339                 6.5021
 IR Inten    --      7.1246                 0.4829                21.5036
 RamAct Fr= 1--     40.7115               110.8418                79.9308
  Dep-P Fr= 1--      0.5365                 0.5875                 0.6715
  Dep-U Fr= 1--      0.6984                 0.7402                 0.8035
 Alpha2 Fr= 1--      0.1676                 0.3361                 0.1112
 Beta2  Fr= 1--      4.7386                13.6738                10.7035
 AlphaG Fr= 1--     -0.1163                -0.0709                -0.1032
 Gamma2 Fr= 1--     -1.1509                 2.8256                -0.4420
 Delta2 Fr= 1--      0.5706                 1.0815                 1.8449
 Raman1 Fr= 1--     162.846                443.367                319.723
 ROA1   Fr= 1--     -92.224                305.863                 16.603
 CID1   Fr= 1--      -0.566                  0.690                  0.052
 Raman2 Fr= 1--      56.863                164.086                128.443
 ROA2   Fr= 1--     -32.185                 59.162                -25.368
 CID2   Fr= 1--      -0.566                  0.361                 -0.198
 Raman3 Fr= 1--     113.727                328.172                256.885
 ROA3   Fr= 1--     -92.224                305.863                 16.603
 CID3   Fr= 1--      -0.811                  0.932                  0.065
 RC180  Fr= 1--       0.397                  0.480                  0.607
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   1     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   1     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
     8   1    -0.02   0.06   0.00     0.01  -0.02  -0.00    -0.01   0.02   0.00
     9   1    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.00   0.00    -0.01   0.01   0.00    -0.01   0.02   0.00
    11   6    -0.01  -0.01  -0.00    -0.03  -0.05  -0.01    -0.02  -0.04  -0.01
    12   6     0.02   0.00   0.00     0.04   0.00   0.01    -0.03   0.00  -0.00
    13   6    -0.02   0.03   0.00    -0.01   0.01   0.00     0.03  -0.05  -0.00
    14   6    -0.03  -0.06  -0.02     0.01   0.03   0.01    -0.02  -0.03  -0.01
    15   1     0.02  -0.04  -0.00     0.11  -0.17  -0.01     0.11  -0.17  -0.01
    16   1     0.07   0.14   0.03     0.31   0.61   0.14     0.23   0.46   0.10
    17   1    -0.23  -0.01  -0.03    -0.53  -0.02  -0.07     0.33   0.01   0.04
    18   1     0.26  -0.41  -0.04     0.08  -0.12  -0.01    -0.36   0.55   0.06
    19   1     0.36   0.72   0.18    -0.17  -0.33  -0.08     0.16   0.32   0.08
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3192.4005              3201.4134              3780.6753
 Red. masses --      1.0948                 1.0933                 1.0659
 Frc consts  --      6.5738                 6.6019                 8.9763
 IR Inten    --     19.7703                 7.7905                18.7187
 RamAct Fr= 1--    161.8225               198.8096                51.0760
  Dep-P Fr= 1--      0.1244                 0.1071                 0.1548
  Dep-U Fr= 1--      0.2213                 0.1935                 0.2681
 Alpha2 Fr= 1--      2.6674                 3.4207                 0.7801
 Beta2  Fr= 1--      5.9697                 6.4109                 2.2820
 AlphaG Fr= 1--     -0.3398                 0.3080                 1.0399
 Gamma2 Fr= 1--     -1.6539                 2.2765                 6.6966
 Delta2 Fr= 1--     -3.7755                 2.2008                 1.4600
 Raman1 Fr= 1--     647.290                795.238                204.304
 ROA1   Fr= 1--    -279.590                288.967                689.597
 CID1   Fr= 1--      -0.432                  0.363                  3.375
 Raman2 Fr= 1--      71.636                 76.931                 27.384
 ROA2   Fr= 1--      -9.489                 37.029                149.039
 CID2   Fr= 1--      -0.132                  0.481                  5.443
 Raman3 Fr= 1--     143.273                153.862                 54.767
 ROA3   Fr= 1--    -279.590                288.967                689.597
 CID3   Fr= 1--      -1.951                  1.878                 12.591
 RC180  Fr= 1--      -0.557                 -0.613                 -0.464
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.02  -0.06
     2   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     3   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.04   0.35   0.93
     4   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.01
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     7   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   1     0.00  -0.01  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    10   6    -0.02   0.03   0.00     0.04  -0.06  -0.00     0.00  -0.00  -0.00
    11   6    -0.01  -0.02  -0.00    -0.02  -0.03  -0.01    -0.00   0.00  -0.00
    12   6    -0.06  -0.00  -0.01    -0.02   0.00  -0.00     0.00  -0.00  -0.00
    13   6    -0.02   0.04   0.00    -0.01   0.01   0.00     0.00   0.00   0.00
    14   6     0.01   0.01   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1     0.20  -0.32  -0.02    -0.47   0.73   0.05    -0.00   0.00   0.00
    16   1     0.09   0.19   0.04     0.17   0.34   0.08    -0.00  -0.00  -0.00
    17   1     0.69   0.03   0.08     0.24   0.01   0.03    -0.00   0.00   0.00
    18   1     0.29  -0.45  -0.05     0.07  -0.11  -0.01    -0.00   0.00  -0.00
    19   1    -0.08  -0.16  -0.04    -0.02  -0.04  -0.01     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  1 and mass   1.00783
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   122.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   520.958741552.451131940.40871
           X            0.99974   0.02097  -0.00937
           Y           -0.02084   0.99969   0.01351
           Z            0.00965  -0.01331   0.99986
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16626     0.05579     0.04464
 Rotational constants (GHZ):           3.46427     1.16251     0.93008
 Zero-point vibrational energy     422266.0 (Joules/Mol)
                                  100.92399 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     44.73   200.80   316.97   367.78   414.19
          (Kelvin)            468.95   571.55   596.61   672.40   761.77
                              883.12   918.20  1027.40  1087.63  1124.16
                             1232.92  1313.72  1327.23  1383.19  1408.10
                             1474.67  1482.82  1514.87  1536.80  1577.94
                             1620.81  1705.04  1735.19  1753.67  1847.91
                             1911.71  1932.26  1956.25  2025.36  2032.74
                             2135.35  2148.23  2148.77  2207.19  2343.77
                             2374.07  4354.40  4371.33  4455.32  4484.19
                             4547.06  4560.80  4575.08  4593.15  4606.12
                             5439.55
 
 Zero-point correction=                           0.160833 (Hartree/Particle)
 Thermal correction to Energy=                    0.169219
 Thermal correction to Enthalpy=                  0.170163
 Thermal correction to Gibbs Free Energy=         0.127253
 Sum of electronic and zero-point Energies=           -386.115055
 Sum of electronic and thermal Energies=              -386.106669
 Sum of electronic and thermal Enthalpies=            -386.105725
 Sum of electronic and thermal Free Energies=         -386.148635
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  106.186             32.278             90.312
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.313
 Rotational               0.889              2.981             28.841
 Vibrational            104.409             26.316             21.158
 Vibration     1          0.594              1.983              5.759
 Vibration     2          0.615              1.914              2.810
 Vibration     3          0.647              1.810              1.957
 Vibration     4          0.666              1.753              1.691
 Vibration     5          0.685              1.696              1.486
 Vibration     6          0.710              1.624              1.280
 Vibration     7          0.764              1.476              0.973
 Vibration     8          0.778              1.438              0.910
 Vibration     9          0.825              1.322              0.745
 Vibration    10          0.884              1.185              0.588
 Vibration    11          0.973              1.003              0.427
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.293651D-58        -58.532169       -134.775299
 Total V=0       0.279020D+16         15.445635         35.564888
 Vib (Bot)       0.123522D-71        -71.908256       -165.574878
 Vib (Bot)    1  0.665870D+01          0.823390          1.895925
 Vib (Bot)    2  0.145713D+01          0.163497          0.376467
 Vib (Bot)    3  0.897731D+00         -0.046854         -0.107884
 Vib (Bot)    4  0.761462D+00         -0.118352         -0.272515
 Vib (Bot)    5  0.665051D+00         -0.177145         -0.407892
 Vib (Bot)    6  0.574685D+00         -0.240570         -0.553933
 Vib (Bot)    7  0.449581D+00         -0.347192         -0.799440
 Vib (Bot)    8  0.425172D+00         -0.371436         -0.855262
 Vib (Bot)    9  0.361728D+00         -0.441618         -1.016863
 Vib (Bot)   10  0.302216D+00         -0.519682         -1.196613
 Vib (Bot)   11  0.239811D+00         -0.620130         -1.427903
 Vib (V=0)       0.117367D+03          2.069548          4.765310
 Vib (V=0)    1  0.717745D+01          0.855970          1.970944
 Vib (V=0)    2  0.204053D+01          0.309742          0.713207
 Vib (V=0)    3  0.152758D+01          0.184004          0.423685
 Vib (V=0)    4  0.141095D+01          0.149511          0.344261
 Vib (V=0)    5  0.133204D+01          0.124518          0.286712
 Vib (V=0)    6  0.126175D+01          0.100973          0.232500
 Vib (V=0)    7  0.117240D+01          0.069076          0.159054
 Vib (V=0)    8  0.115633D+01          0.063082          0.145252
 Vib (V=0)    9  0.111713D+01          0.048103          0.110761
 Vib (V=0)   10  0.108424D+01          0.035125          0.080878
 Vib (V=0)   11  0.105454D+01          0.023061          0.053100
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.530132D+08          7.724384         17.786052
 Rotational      0.448438D+06          5.651703         13.013527
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                3333333 33                                             11 1111111111111111111                                  
     7                2111110 00                                             66 54444433322211000009999 8 77 7 66  5 443  3222  1    
     8                0987619 32                                             52 39981064281082965327621 5 85 1 31  2 619  2852  4  3 
     1                1200077 86                                             09 43343803949657783159123 7 16 4 84  9 757  6860  0  1 
 
     X                XXXXXXX XX                                             XX XXXXXXXXXXXXXXXXXXXXXXX X XX X XX  X XXX  XXXX  X  X 
     X                 XX  XX XX                                                XX XX   X X  XXXXX    X   XX X     X       X         
     X                 XX  XX X                                                     X     X  XX XX        XX X     X       X         
                           XX                                                       X        XX XX           X             X         
                            X                                                       X        XX  X           X             X         
                                                                                    X                        X             X         
                                                                                    X                                      X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
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                                                                                                                           X         
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000003977    0.000004629   -0.000001523
      2        6           0.000011934   -0.000010061   -0.000005846
      3        1           0.000000818   -0.000001981    0.000000317
      4        1          -0.000003004    0.000000651    0.000000631
      5        6          -0.000002483   -0.000000322    0.000005709
      6        6          -0.000002629    0.000003240    0.000004686
      7        1           0.000000722    0.000000557   -0.000001050
      8        1           0.000003061    0.000000745   -0.000000752
      9        1           0.000000724    0.000000788    0.000000622
     10        6           0.000012685    0.000005202    0.000005888
     11        6          -0.000013367    0.000002205   -0.000001977
     12        6          -0.000000073   -0.000012869   -0.000002348
     13        6           0.000010194    0.000006624    0.000002206
     14        6          -0.000013060    0.000004238   -0.000000216
     15        1          -0.000000491   -0.000002145   -0.000004862
     16        1           0.000002634   -0.000000488   -0.000000521
     17        1           0.000000174    0.000002285   -0.000000152
     18        1          -0.000002035   -0.000000934   -0.000000282
     19        1          -0.000001829   -0.000002364   -0.000000529
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013367 RMS     0.000004960
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.125723D+03  0.143587D+01  0.217056D+01
      2   0.143587D+01  0.104748D+03  0.533162D+01
      3   0.217056D+01  0.533162D+01  0.691692D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.776272D+00  0.681547D+00  0.723738D+01
      2   0.938988D+01  0.882538D+01 -0.173469D+01
      3  -0.665348D+01 -0.394811D+02 -0.834063D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.949038D+02  0.544952D+01  0.814417D+01
      2  -0.416385D+02 -0.140086D+02 -0.127156D+02
      3  -0.532653D+02  0.855909D+01  0.457142D+01
      4  -0.265455D+02  0.706848D+02  0.209510D+02
      5   0.264283D+02  0.224705D+02 -0.775839D+01
      6   0.839252D+01  0.923730D+01 -0.151803D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.284895D+01  0.235320D+01 -0.627340D+00  0.103885D+01 -0.227394D+01
      2   0.235320D+01 -0.135765D+01  0.897084D+00 -0.227394D+01  0.277906D+01
      3  -0.627340D+00  0.897084D+00 -0.214832D-01  0.110271D+01 -0.217687D+01
                 6             7             8             9            10 
      1   0.110271D+01 -0.166007D+01  0.137481D+01 -0.575596D+00  0.312942D+01
      2  -0.217687D+01  0.137481D+01 -0.268345D+01 -0.565473D+00  0.161775D+01
      3  -0.143716D+01 -0.575596D+00 -0.565473D+00 -0.450740D+01  0.187708D-02
                11            12            13            14            15 
      1   0.161775D+01  0.187708D-02  0.566933D+01  0.375033D+01 -0.106988D+01
      2   0.178594D+01 -0.855975D+00  0.375033D+01  0.101271D-01  0.533009D+00
      3  -0.855975D+00  0.109685D+01 -0.106988D+01  0.533009D+00  0.411941D+01
                16            17            18            19            20 
      1  -0.447597D+00 -0.136574D+01  0.394929D+01 -0.593962D+00  0.427659D+00
      2  -0.136574D+01 -0.341214D+00  0.319545D+01  0.427659D+00 -0.443125D+00
      3   0.394929D+01  0.319545D+01  0.506889D+01  0.342168D+00 -0.206263D+00
                21            22            23            24            25 
      1   0.342168D+00  0.102891D+01 -0.759166D+00 -0.447320D+00  0.179769D+01
      2  -0.206263D+00 -0.759166D+00  0.210104D+01  0.105595D+01 -0.102942D+01
      3  -0.426954D+00 -0.447320D+00  0.105595D+01  0.154174D+01 -0.115065D+01
                26            27            28            29            30 
      1  -0.102942D+01 -0.115065D+01 -0.188317D+01 -0.758322D+00 -0.174308D+01
      2   0.258761D+01  0.205657D+01 -0.758322D+00 -0.603744D+00 -0.235350D+00
      3   0.205657D+01  0.410630D+01 -0.174308D+01 -0.235350D+00 -0.146951D+01
                31            32            33            34            35 
      1  -0.246062D+01 -0.153904D+01 -0.604403D+00 -0.385172D+01 -0.541078D+00
      2  -0.153904D+01 -0.124891D+01 -0.150175D+01 -0.541078D+00 -0.144544D+01
      3  -0.604403D+00 -0.150175D+01 -0.223823D+01 -0.286066D+01 -0.177247D+01
                36            37            38            39            40 
      1  -0.286066D+01  0.807422D+01  0.839349D+00  0.152804D+01 -0.234310D+01
      2  -0.177247D+01  0.839349D+00 -0.259212D+01  0.728646D+00 -0.339942D+01
      3  -0.753631D+01  0.152804D+01  0.728646D+00 -0.157358D+01  0.145855D+01
                41            42            43            44            45 
      1  -0.339942D+01  0.145855D+01  0.484175D+01  0.202566D+01 -0.206256D+01
      2   0.281600D+01  0.507439D+00  0.202566D+01  0.880999D+00 -0.289446D+01
      3   0.507439D+00 -0.315544D+01 -0.206256D+01 -0.289446D+01 -0.440905D+01
                46            47            48            49            50 
      1  -0.154169D+02 -0.231445D+01 -0.498727D+00 -0.295173D+01  0.178278D+01
      2  -0.231445D+01 -0.270652D+01 -0.122767D+00  0.178278D+01 -0.990839D-01
      3  -0.498727D+00 -0.122767D+00 -0.176383D+01  0.886462D+00  0.377571D-02
                51            52            53            54            55 
      1   0.886462D+00 -0.598167D+00  0.889328D+00 -0.350668D+01 -0.439620D+00
      2   0.377571D-02  0.889328D+00  0.500654D-01 -0.541980D+00  0.232334D+00
      3  -0.281346D+00 -0.350668D+01 -0.541980D+00 -0.161128D+01  0.735196D+00
                56            57            58            59            60 
      1   0.232334D+00  0.735196D+00  0.974911D+00  0.247081D+00 -0.443852D+00
      2   0.593486D+00 -0.794207D-01  0.247081D+00  0.607188D+00  0.115021D+01
      3  -0.794207D-01  0.101854D+01 -0.443852D+00  0.115021D+01  0.211696D+01
                61            62            63            64            65 
      1   0.109295D+01  0.195708D-01 -0.636176D+00  0.901321D+00 -0.958564D+00
      2   0.195708D-01  0.135678D+01  0.751348D+00 -0.958564D+00  0.147363D+01
      3  -0.636176D+00  0.751348D+00  0.734119D+01 -0.352996D+00 -0.330497D+00
                66            67            68            69            70 
      1  -0.352996D+00 -0.172603D+01  0.495518D+00  0.793957D-01 -0.771600D+00
      2  -0.330497D+00  0.495518D+00 -0.728459D+01  0.614578D+00 -0.283750D+00
      3   0.662982D+00  0.793957D-01  0.614578D+00 -0.101158D+01  0.331119D+00
                71            72            73            74            75 
      1  -0.283750D+00  0.331119D+00 -0.132827D+02 -0.220024D+01  0.497858D-01
      2   0.288749D+00 -0.782325D+00 -0.220024D+01 -0.136430D+01  0.124640D+00
      3  -0.782325D+00  0.575458D+00  0.497858D-01  0.124640D+00 -0.123509D+01
                76            77            78            79            80 
      1  -0.638395D+00 -0.126634D+01 -0.205297D+00 -0.194148D+01 -0.443306D+00
      2  -0.126634D+01 -0.866183D+00 -0.111947D+00 -0.443306D+00 -0.543033D+00
      3  -0.205297D+00 -0.111947D+00  0.291646D+00 -0.113685D+01  0.797093D-01
                81            82            83            84            85 
      1  -0.113685D+01  0.413317D+01 -0.935525D+00  0.313450D+00  0.722715D+01
      2   0.797093D-01 -0.935525D+00 -0.265820D+01 -0.750066D+00  0.151435D+00
      3  -0.664256D-01  0.313450D+00 -0.750066D+00 -0.169489D+01  0.654783D-01
                86            87            88            89            90 
      1   0.151435D+00  0.654783D-01  0.235432D+01 -0.335458D+00 -0.164162D+01
      2   0.152391D+01 -0.527123D+00 -0.335458D+00 -0.132333D+01  0.340535D+01
      3  -0.527123D+00  0.188018D+01 -0.164162D+01  0.340535D+01  0.906621D+00
                91            92            93            94            95 
      1  -0.306582D+01 -0.120245D+00 -0.509112D+00  0.459040D+01 -0.252050D+00
      2  -0.120245D+00  0.231733D+01 -0.383894D+00 -0.252050D+00  0.982161D+00
      3  -0.509112D+00 -0.383894D+00  0.921225D+00 -0.221969D+00 -0.743432D+00
                96            97            98            99           100 
      1  -0.221969D+00  0.214778D+00 -0.892258D+00  0.204288D+01  0.497064D+01
      2  -0.743432D+00 -0.892258D+00 -0.680801D+00  0.345479D+01  0.246166D+00
      3   0.176038D+01  0.204288D+01  0.345479D+01  0.201368D+01 -0.612061D+00
               101           102           103           104           105 
      1   0.246166D+00 -0.612061D+00  0.736067D+00 -0.406747D+00 -0.101869D+01
      2   0.307177D+01  0.100276D+00 -0.406747D+00 -0.249225D-01 -0.332510D+00
      3   0.100276D+00  0.240348D+01 -0.101869D+01 -0.332510D+00 -0.916481D-01
               106           107           108           109           110 
      1  -0.465796D+00 -0.987625D+00  0.489531D+01 -0.219851D+01 -0.117169D+00
      2  -0.987625D+00  0.111117D+00  0.648080D-01 -0.117169D+00  0.200637D+01
      3   0.489531D+01  0.648080D-01  0.131545D+01 -0.422089D+00  0.693973D+00
               111           112           113           114           115 
      1  -0.422089D+00 -0.487389D+01 -0.613495D+00 -0.815088D+00 -0.152798D+01
      2   0.693973D+00 -0.613495D+00 -0.792351D+00  0.904372D+00 -0.277447D+00
      3   0.146013D+01 -0.815088D+00  0.904372D+00 -0.182594D+01  0.263523D+01
               116           117           118           119           120 
      1  -0.277447D+00  0.263523D+01  0.351706D+01  0.172113D+01  0.511220D+00
      2   0.163346D+01 -0.303271D+01  0.172113D+01 -0.235610D+01  0.127708D+00
      3  -0.303271D+01 -0.916778D+00  0.511220D+00  0.127708D+00 -0.970116D+00
               121           122           123           124           125 
      1  -0.613427D+01 -0.762025D+00  0.306642D+00 -0.132026D+00  0.884949D+00
      2  -0.762025D+00 -0.131964D+01  0.925225D+00  0.884949D+00  0.499199D+00
      3   0.306642D+00  0.925225D+00 -0.156236D+01 -0.930753D+00 -0.316477D+01
               126           127           128           129           130 
      1  -0.930753D+00 -0.284024D+01  0.216321D+01  0.380193D-01  0.225930D+01
      2  -0.316477D+01  0.216321D+01 -0.254022D+01 -0.867324D-01 -0.277221D+01
      3  -0.218598D+01  0.380193D-01 -0.867324D-01 -0.302469D+00 -0.244683D+00
               131           132           133           134           135 
      1  -0.277221D+01 -0.244683D+00 -0.237516D+00 -0.720956D-01  0.221783D-01
      2   0.704292D+01  0.477679D+00 -0.720956D-01  0.559852D+00  0.173372D+00
      3   0.477679D+00  0.808110D+00  0.221783D-01  0.173372D+00  0.293364D-01
               136           137           138           139           140 
      1   0.293771D+01  0.302083D+01  0.717478D+00  0.268716D+01  0.401992D+01
      2   0.302083D+01  0.316982D+01  0.705640D+00  0.401992D+01  0.868019D+01
      3   0.717478D+00  0.705640D+00  0.636986D+00  0.792174D+00  0.158680D+01
               141           142           143           144           145 
      1   0.792174D+00  0.735306D+00  0.988460D+00  0.346083D+00  0.131412D+02
      2   0.158680D+01  0.988460D+00  0.183019D+01  0.533532D+00  0.380378D+00
      3   0.123687D+01  0.346083D+00  0.533532D+00  0.308124D+00  0.127687D+01
               146           147           148           149           150 
      1   0.380378D+00  0.127687D+01  0.258112D+00  0.160494D+01  0.288526D+00
      2   0.805814D+00  0.670406D-03  0.160494D+01  0.142051D+00  0.176611D+00
      3   0.670406D-03  0.116161D+01  0.288526D+00  0.176611D+00  0.656939D-01
               151           152           153           154           155 
      1   0.145816D+01  0.311633D+00  0.297810D+00  0.405585D+01 -0.354702D+01
      2   0.311633D+00  0.988500D-01 -0.206137D-02 -0.354702D+01  0.353385D+01
      3   0.297810D+00 -0.206137D-02  0.249349D+00 -0.343483D+00  0.257054D+00
               156           157           158           159           160 
      1  -0.343483D+00 -0.337360D+01  0.441103D+01  0.626781D+00 -0.292777D+00
      2   0.257054D+00  0.441103D+01 -0.759863D+01 -0.882918D+00  0.504462D+00
      3   0.580920D+00  0.626781D+00 -0.882918D+00 -0.963019D+00  0.183650D+00
               161           162           163           164           165 
      1   0.504462D+00  0.183650D+00 -0.229071D+01 -0.205048D+01 -0.405209D+00
      2  -0.106790D+01 -0.365566D+00 -0.205048D+01 -0.213604D+01 -0.584726D+00
      3  -0.365566D+00 -0.241598D+00 -0.405209D+00 -0.584726D+00 -0.484800D+00
               166           167           168           169           170 
      1  -0.196857D+01 -0.241860D+01 -0.535546D+00 -0.568193D+00 -0.770694D+00
      2  -0.241860D+01 -0.745034D+01 -0.165911D+01 -0.770694D+00 -0.181171D+01
      3  -0.535546D+00 -0.165911D+01 -0.125426D+01 -0.202000D+00 -0.593119D+00
               171 
      1  -0.202000D+00
      2  -0.593119D+00
      3  -0.439567D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.320429D+00 -0.107458D+00  0.704525D+00  0.140762D+00 -0.299428D+00
      2  -0.727332D+00 -0.135705D+00  0.435144D+01 -0.829082D+00  0.368104D+01
      3   0.280290D+01 -0.851661D+01  0.929720D+00  0.102025D+01  0.788948D+01
                 6             7             8             9            10 
      1  -0.132214D+01 -0.373120D+01  0.614699D+01  0.768923D+01 -0.206724D+01
      2   0.275896D+01 -0.118465D+01  0.352422D+01  0.109989D+02  0.114629D+01
      3  -0.512270D+01  0.172330D+00 -0.588469D+01 -0.221713D+01  0.640538D+01
                11            12            13            14            15 
      1  -0.248114D+00  0.847961D+00 -0.125185D+01 -0.215411D+00  0.379747D+00
      2   0.130772D+01 -0.863702D+00  0.371655D+01  0.931773D+00 -0.665026D+01
      3   0.200660D+01 -0.859024D-01  0.136528D+02 -0.608659D+01  0.118845D+01
                16            17            18            19            20 
      1   0.408045D+01  0.519260D+01 -0.537210D+00 -0.385335D+00  0.375517D+00
      2  -0.148537D+02 -0.702961D+01 -0.780053D+01 -0.189004D+01  0.670329D+00
      3  -0.809498D+00 -0.127902D+01  0.624756D+01  0.206735D+01 -0.265154D+00
                21            22            23            24            25 
      1   0.494117D+00  0.870341D+00 -0.260138D+01 -0.356844D+01  0.264379D+01
      2   0.981607D+00  0.848587D+00 -0.297565D+01 -0.417113D+01  0.847632D+00
      3   0.381765D-01  0.453709D+00  0.425944D+01  0.266815D+01 -0.133223D+00
                26            27            28            29            30 
      1  -0.282569D+01 -0.839019D+01 -0.504275D+00  0.959589D+00 -0.590442D+00
      2  -0.571215D+01 -0.106503D+02  0.170819D+01  0.290739D+00  0.276706D+01
      3   0.642006D+01  0.496627D+01 -0.168990D+01 -0.311409D+01 -0.257970D+00
                31            32            33            34            35 
      1   0.981252D+00  0.820181D+00 -0.704525D+00 -0.106060D+01  0.218815D+01
      2  -0.353143D+00  0.163913D+01  0.408815D+01  0.150699D+01  0.282885D+01
      3  -0.186992D+01 -0.171972D+01 -0.323060D+01 -0.896978D-01 -0.295329D+01
                36            37            38            39            40 
      1  -0.143590D+01  0.360568D+01 -0.207958D+01 -0.235539D+01  0.825075D+00
      2   0.123544D+02 -0.109938D+02 -0.356257D+01  0.644523D+01 -0.529311D+01
      3  -0.361526D+01 -0.796411D+01 -0.130969D+02  0.263049D-01 -0.718076D+01
                41            42            43            44            45 
      1   0.612546D+01 -0.691493D+01 -0.108655D+01 -0.224157D+01 -0.699564D+01
      2  -0.103480D+00  0.748213D+01  0.154247D+01  0.702311D+01  0.125976D+02
      3   0.151993D+02 -0.679674D-01  0.185086D+01 -0.515311D+00 -0.643144D+01
                46            47            48            49            50 
      1   0.701697D+00 -0.638666D+00 -0.381205D+00 -0.312716D+01 -0.159213D+01
      2   0.151404D+00 -0.154173D+01 -0.114472D+01 -0.126255D+01  0.428706D+00
      3  -0.686916D+01  0.528700D+01  0.558595D+00  0.138683D+02 -0.135377D-01
                51            52            53            54            55 
      1   0.124165D+01  0.897664D+00  0.928855D+01  0.243191D+01  0.127663D+01
      2   0.111512D+01 -0.123048D+02  0.427109D+00  0.331485D+00 -0.237082D+01
      3   0.257210D+00 -0.685025D+00  0.228718D+01 -0.764492D+00  0.125414D+01
                56            57            58            59            60 
      1   0.108056D+01  0.889328D+00  0.213568D+00  0.272654D+01  0.227415D+01
      2  -0.185007D+00 -0.240897D+01 -0.381633D+00 -0.314902D+01 -0.525247D+01
      3   0.110363D+01 -0.879318D+00  0.134658D+01  0.129662D+01  0.313733D+01
                61            62            63            64            65 
      1  -0.438108D+00  0.504946D+01  0.949602D+01 -0.212176D+01  0.137306D+01
      2  -0.227807D+01 -0.258410D+01 -0.183338D+02 -0.280172D+00  0.120137D+01
      3  -0.106617D+01  0.371351D+01  0.278038D+01 -0.740056D+01  0.550444D+01
                66            67            68            69            70 
      1   0.163736D+01  0.126101D+01 -0.544631D+01 -0.288660D+01  0.855227D+00
      2  -0.922884D+00  0.123337D+01 -0.238901D+01  0.188575D+01 -0.166451D+01
      3   0.413880D+00  0.759858D+01 -0.203820D+02  0.122513D+01  0.134597D+01
                71            72            73            74            75 
      1   0.271157D+00  0.116285D+00 -0.608442D+00 -0.813658D+00 -0.175812D+01
      2   0.159492D+01 -0.137269D+01  0.750427D+01  0.820254D+00  0.618775D+01
      3   0.745715D+00 -0.285743D+01  0.909748D+01 -0.451711D+01  0.446871D+00
                76            77            78            79            80 
      1  -0.844336D+00 -0.700342D+00 -0.366484D+00 -0.137634D+01  0.685503D+00
      2   0.120106D+01  0.809040D+00 -0.518763D+00  0.240501D+01 -0.400346D+00
      3  -0.109986D+01 -0.169633D+01 -0.334561D+00  0.175606D+00 -0.100117D+01
                81            82            83            84            85 
      1   0.544009D-01 -0.112999D+01 -0.396716D-01  0.225532D+01 -0.877116D+00
      2   0.719798D+00  0.226095D+01  0.146409D+00 -0.881774D+00  0.284492D+01
      3   0.172731D+01  0.638963D+01 -0.212260D+01  0.139239D+01  0.652502D+01
                86            87            88            89            90 
      1  -0.179926D+00 -0.257229D+01  0.509611D+01  0.322067D+01  0.867480D-01
      2   0.913960D+00  0.104056D+01 -0.121960D+02  0.665109D+00 -0.733745D+00
      3  -0.517091D+01  0.509455D+00  0.185268D+01 -0.887342D+00 -0.515000D+01
                91            92            93            94            95 
      1   0.108158D+01  0.638618D+00 -0.151221D+01  0.859966D+00  0.249155D-01
      2   0.790521D-01  0.114374D+01  0.639847D+00  0.733442D+00 -0.255549D+01
      3  -0.363183D+01 -0.955873D+01 -0.173082D+01  0.575622D+01 -0.193288D+01
                96            97            98            99           100 
      1  -0.229669D+01 -0.499755D+01  0.166651D+01 -0.825903D+00  0.840219D-01
      2   0.475959D+01 -0.688211D+01  0.865561D+01  0.350003D+01 -0.151185D+00
      3   0.155047D+01 -0.656051D-01  0.176723D+01 -0.463285D+01  0.574586D+00
               101           102           103           104           105 
      1  -0.928083D+00 -0.506876D+00 -0.121653D+01 -0.245470D+01  0.143232D+01
      2  -0.461515D-01  0.675655D+01 -0.322427D+01 -0.830987D-02 -0.442600D+00
      3  -0.676195D+01 -0.806158D-02  0.109392D+02  0.344004D+01  0.175280D+01
               106           107           108           109           110 
      1  -0.920433D+00  0.108396D+02  0.171756D+01 -0.108525D+01  0.361926D-01
      2   0.684014D+01  0.574964D+00  0.195583D+01 -0.466836D+00  0.219489D+01
      3   0.333332D+01  0.109669D+01  0.757311D+00 -0.143048D+01 -0.125086D+02
               111           112           113           114           115 
      1   0.226435D+01 -0.134480D+01  0.342256D+00 -0.200349D+01  0.598640D+01
      2   0.224105D+01 -0.840519D+00  0.269514D+01 -0.459220D+01 -0.517413D+01
      3  -0.196870D+01  0.479403D+01 -0.138450D+01 -0.185412D+01 -0.292381D+00
               116           117           118           119           120 
      1   0.263306D+01  0.177840D+01  0.285803D+00  0.766533D+00 -0.180643D+01
      2  -0.923898D+01 -0.236247D+01  0.305728D+01  0.167398D+01 -0.816915D+00
      3  -0.403471D+01  0.377303D+01 -0.775147D-01 -0.239219D+01 -0.206659D+01
               121           122           123           124           125 
      1   0.129522D+01 -0.678387D+00 -0.237517D+01 -0.512540D+01  0.272430D+01
      2   0.127388D+01 -0.114323D+01 -0.168361D+01 -0.126892D+02 -0.102927D+01
      3   0.138117D+01  0.693266D+01  0.480477D-01 -0.374046D+01 -0.657401D+00
               126           127           128           129           130 
      1  -0.142341D+01  0.381472D+00 -0.487079D+00  0.168307D+01  0.292320D+00
      2  -0.320842D+01  0.116057D+01 -0.423646D+00  0.173930D+00 -0.407796D+00
      3   0.522366D+01 -0.874425D+01  0.424172D+01  0.253490D-01  0.719099D+01
               131           132           133           134           135 
      1  -0.266406D-01 -0.328073D+01 -0.391785D+00  0.151647D+01  0.403929D-01
      2   0.957731D+00 -0.745999D+00 -0.156900D+01  0.406817D+00 -0.143293D-01
      3  -0.655513D+01 -0.856575D+00 -0.439014D+00  0.111814D+00  0.222207D-02
               136           137           138           139           140 
      1  -0.171435D+00 -0.215093D-02 -0.198930D+01 -0.134154D+00  0.454518D+00
      2   0.494992D+00  0.745651D+00  0.208910D+01  0.641731D+00  0.253209D+01
      3  -0.986183D+00 -0.287129D+01 -0.487167D+00 -0.203955D+01 -0.129992D+02
               141           142           143           144           145 
      1  -0.403377D+01  0.549402D+00  0.182231D+01 -0.406305D+00 -0.816904D-01
      2   0.354692D+01 -0.406557D+00  0.200194D-01  0.670764D+00  0.175933D+01
      3  -0.218065D+01 -0.673979D+00 -0.270274D+01 -0.475601D+00  0.652252D-01
               146           147           148           149           150 
      1   0.430307D+00 -0.197219D+00  0.233250D+00 -0.358811D-01 -0.268716D+00
      2  -0.136008D+00  0.651258D+01  0.120042D+01  0.368412D+00  0.371251D+00
      3  -0.519618D+01  0.226379D+00 -0.405856D+01 -0.282510D+00 -0.461793D+00
               151           152           153           154           155 
      1   0.106672D+00  0.631188D+00 -0.792487D-02  0.283048D+00 -0.676809D+00
      2  -0.228844D+01  0.325711D-01  0.691477D+00  0.288328D+00 -0.400242D+00
      3  -0.114942D+01 -0.569918D+00 -0.238887D+00  0.127713D+01 -0.424640D+01
               156           157           158           159           160 
      1   0.207021D+01  0.246292D+00  0.143531D+00 -0.362180D+01 -0.689174D+00
      2   0.234432D+01  0.496631D+00 -0.100803D+01 -0.332577D+01 -0.528194D+00
      3  -0.244807D-01 -0.303300D+01  0.119830D+02  0.104631D+01 -0.837613D+00
               161           162           163           164           165 
      1   0.135427D+01 -0.316674D+00  0.775918D+00  0.360894D+00 -0.174908D+01
      2   0.236242D+00 -0.449722D+00 -0.164370D+01 -0.109816D+01  0.136964D+00
      3   0.204974D+01  0.485766D+00  0.813425D+01  0.465561D+01  0.785635D+00
               166           167           168           169           170 
      1   0.490127D+00  0.927272D+00 -0.370056D+01  0.327338D+00  0.220526D+01
      2  -0.159848D+01 -0.162480D+01  0.334374D+00 -0.200000D+01 -0.721527D+00
      3   0.763200D+01  0.794935D+01  0.180819D+01  0.125131D+01  0.229365D+01
               171 
      1  -0.406080D+00
      2   0.232711D-01
      3   0.419588D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.197226D+02 -0.466408D+01  0.256055D+01 -0.663937D+01  0.217167D+01
      2  -0.772034D+01 -0.865344D+00 -0.109790D+01 -0.849502D+00  0.892810D+01
      3  -0.120023D+02  0.552942D+01 -0.146265D+01  0.748887D+01 -0.110998D+02
      4  -0.160466D+02  0.178199D+02 -0.509939D+01  0.213964D+02 -0.202693D+02
      5   0.467310D+01 -0.445569D+01  0.792006D+01 -0.748744D+01  0.108080D+02
      6  -0.268406D+01  0.181035D+01 -0.268640D+01  0.343338D+01 -0.787240D+01
                 6             7             8             9            10 
      1   0.303133D+00  0.277352D+01  0.164037D+01  0.148178D+01  0.973054D+01
      2  -0.262293D+01 -0.161231D+01 -0.399111D+01 -0.693446D+01 -0.355451D+01
      3   0.231979D+01 -0.116122D+01  0.235073D+01  0.545268D+01 -0.617604D+01
      4   0.108639D+02 -0.896117D+01  0.134633D+02  0.263581D+01 -0.617027D+01
      5   0.412178D+01  0.756909D+01  0.228437D+01  0.222672D+02  0.559480D+00
      6   0.434668D+01  0.378214D+00  0.928013D+00 -0.125429D+02  0.906157D+00
                11            12            13            14            15 
      1   0.132931D+01 -0.381581D+00  0.278283D+01 -0.752277D+01  0.395234D+01
      2   0.128975D+01  0.552544D+00  0.370896D+01  0.365957D+01  0.253503D+00
      3  -0.261906D+01 -0.170963D+00 -0.649179D+01  0.386320D+01 -0.420585D+01
      4  -0.149444D+02  0.375343D+01 -0.251545D+02  0.383616D+01 -0.205187D+01
      5   0.393185D+01 -0.108567D+02  0.781079D+01 -0.220074D+01 -0.156287D+02
      6   0.190618D+01 -0.200261D+01  0.128715D+01  0.396208D+01 -0.889132D+01
                16            17            18            19            20 
      1   0.116195D+02  0.426234D+01  0.369708D+00  0.291764D+01 -0.323303D+01
      2   0.925684D+00  0.261349D+01  0.851946D+01 -0.147557D+01  0.121640D+01
      3  -0.125452D+02 -0.687582D+01 -0.888917D+01 -0.144206D+01  0.201663D+01
      4   0.949559D+01  0.344192D+01 -0.166686D+02 -0.387397D+01  0.212328D+01
      5  -0.199398D+02 -0.152845D+02 -0.208924D+02 -0.221303D+01  0.158823D+01
      6  -0.944004D+01 -0.448149D+01 -0.501622D+01  0.135838D+01 -0.976777D-01
                21            22            23            24            25 
      1  -0.238016D+01 -0.347556D+01 -0.283641D+01 -0.105688D+01 -0.440012D+01
      2   0.614531D+00  0.321853D+00  0.531604D+01  0.274538D+01  0.182366D+01
      3   0.176563D+01  0.315370D+01 -0.247962D+01 -0.168850D+01  0.257645D+01
      4   0.216996D+01  0.536782D+01 -0.958435D+01 -0.549071D+01  0.724265D+01
      5   0.226678D+01  0.248132D+01 -0.510176D+01 -0.714948D+01  0.653086D+01
      6  -0.591492D+00 -0.156587D+01  0.419480D+01  0.631819D+01 -0.352997D+01
                26            27            28            29            30 
      1  -0.880047D+00 -0.257233D+01  0.392962D+01  0.119140D+01  0.421493D+01
      2   0.323908D+01  0.191213D+01 -0.586857D+01 -0.121998D+01 -0.463072D+01
      3  -0.235903D+01  0.660202D+00  0.193895D+01  0.285845D-01  0.415789D+00
      4  -0.125427D+02 -0.101522D+02  0.453680D+01  0.586879D+01  0.220453D+01
      5  -0.976887D+01 -0.192425D+02  0.992777D+01  0.217367D+01  0.122005D+02
      6   0.785654D+01  0.120601D+02  0.276845D+01  0.382739D+00  0.187634D+01
                31            32            33            34            35 
      1   0.127398D+01 -0.207685D+01 -0.331190D+01  0.240726D+01 -0.289858D+01
      2  -0.239202D+01 -0.603415D+00 -0.661169D+00 -0.813000D+01 -0.215523D+01
      3   0.111804D+01  0.268026D+01  0.397307D+01  0.572274D+01  0.505381D+01
      4   0.910983D+01  0.594042D+01  0.683880D+01  0.330038D+01  0.656815D+01
      5   0.375085D+01  0.653902D+01  0.950403D+01  0.179686D+02  0.792955D+01
      6   0.261900D+01  0.493791D+01  0.882122D+01  0.484934D+01  0.642770D+01
                36            37            38            39            40 
      1  -0.105042D+02 -0.536699D+02 -0.147968D+02 -0.182370D+01 -0.731524D+01
      2  -0.141088D+02  0.225492D+02  0.138415D+02  0.402267D+01  0.665927D+01
      3   0.246130D+02  0.311208D+02  0.955326D+00 -0.219897D+01  0.655969D+00
      4   0.812672D+01 -0.168735D+02  0.109922D+02 -0.416629D+01  0.167348D+02
      5   0.320841D+02 -0.238622D+01 -0.175261D+01  0.936155D+01 -0.736632D+01
      6   0.107885D+02 -0.385221D+01 -0.522686D+01  0.349726D+01 -0.589823D+01
                41            42            43            44            45 
      1   0.202095D+02  0.181849D+01 -0.117390D+02 -0.480914D+00  0.124352D+02
      2  -0.218256D+02  0.597068D+01  0.577056D+01  0.394237D+01  0.792606D+01
      3   0.161607D+01 -0.778917D+01  0.596848D+01 -0.346146D+01 -0.203612D+02
      4  -0.698195D+01 -0.301412D+01 -0.143138D+02 -0.449836D+01  0.181047D+02
      5  -0.601188D+01  0.144970D+02  0.137755D+02  0.146743D+02  0.172870D+02
      6   0.528838D-01  0.597918D+01  0.708919D+01  0.583360D+01 -0.888465D+00
                46            47            48            49            50 
      1  -0.199526D+02  0.170387D+00 -0.255938D+00  0.205244D+01 -0.103169D+02
      2   0.666493D+01 -0.869247D+00 -0.294957D+00 -0.230572D+01  0.145910D+02
      3   0.132876D+02  0.698860D+00  0.550895D+00  0.253276D+00 -0.427418D+01
      4   0.109794D+02  0.464281D+01  0.334367D+00 -0.136865D+02 -0.259653D+01
      5  -0.119833D+01 -0.995511D-01  0.798745D+00 -0.336566D+01 -0.118782D+01
      6  -0.957591D+00  0.249065D+00  0.205197D+00 -0.253434D+01  0.305270D+01
                51            52            53            54            55 
      1  -0.423734D+00 -0.658123D+01 -0.146509D+01 -0.100733D+02  0.337143D+01
      2   0.424965D+01  0.147135D+01  0.190036D+01 -0.315192D+01 -0.438543D+01
      3  -0.382591D+01  0.510988D+01 -0.435271D+00  0.132252D+02  0.101400D+01
      4  -0.172011D+01 -0.358454D+01 -0.170414D+01  0.276655D+01  0.146930D+00
      5   0.193780D+01  0.284714D+01  0.204992D+01  0.601673D-01 -0.310949D+01
      6  -0.236636D+01 -0.863672D+00  0.480581D+01 -0.386592D+01  0.225282D-02
                56            57            58            59            60 
      1   0.327476D+00 -0.659453D+01 -0.241769D+01 -0.502194D+01 -0.217025D+01
      2  -0.124162D+01  0.941486D+00  0.174633D+01  0.654397D+00 -0.563035D+01
      3   0.914140D+00  0.565304D+01  0.671357D+00  0.436755D+01  0.780061D+01
      4  -0.205058D+01 -0.714541D+00 -0.562395D+00 -0.402762D+01 -0.562144D+01
      5   0.916010D+00  0.750375D+00  0.380755D+01 -0.428813D+01 -0.944062D+01
      6   0.156794D+01 -0.953088D+00  0.744717D-01  0.210796D+01  0.376952D+01
                61            62            63            64            65 
      1  -0.541904D+01 -0.924271D+00 -0.166288D+02 -0.241622D+01  0.935246D+01
      2   0.436422D+01 -0.402045D+01 -0.175402D+02  0.531726D+01 -0.949544D+01
      3   0.105483D+01  0.494472D+01  0.341690D+02 -0.290104D+01  0.142984D+00
      4  -0.146573D+01 -0.698113D+01 -0.584031D+01  0.136165D+01 -0.163169D+01
      5   0.835805D+01 -0.327618D+01 -0.314204D+02  0.222354D+01 -0.562982D+00
      6   0.834298D+00  0.427414D+01 -0.698212D+01 -0.189261D+00  0.265546D+01
                66            67            68            69            70 
      1  -0.757383D+00  0.892859D+01 -0.246775D+02  0.229156D+01  0.204137D+01
      2  -0.381544D+00 -0.632028D+01  0.373143D+02 -0.151727D+01 -0.140755D+01
      3   0.113893D+01 -0.260831D+01 -0.126367D+02 -0.774296D+00 -0.633815D+00
      4   0.112550D+01  0.424419D+01  0.281189D+02 -0.246677D+01  0.216667D+01
      5  -0.212901D+01 -0.269639D+01 -0.253396D+00  0.367595D+01 -0.355380D+00
      6  -0.264350D+01  0.599903D+00 -0.988482D+01  0.633873D+01 -0.154243D+01
                71            72            73            74            75 
      1   0.210655D+01 -0.600650D+01  0.841857D+02  0.106296D+02  0.212540D+01
      2  -0.651162D+00  0.344466D+01 -0.402698D+02 -0.256231D+01  0.522996D+00
      3  -0.145539D+01  0.256184D+01 -0.439159D+02 -0.806729D+01 -0.264839D+01
      4  -0.471699D+00  0.172246D+01  0.311610D+02  0.151056D+02 -0.995573D-01
      5   0.247749D+01 -0.178190D+01 -0.975179D+01 -0.187688D+01  0.105777D+02
      6   0.645011D+01 -0.130108D+01 -0.400449D+00 -0.147083D+01  0.335444D+01
                76            77            78            79            80 
      1   0.260477D+01  0.596563D+01  0.286825D-01  0.920814D+01  0.841518D+00
      2   0.156715D+01  0.414527D-01 -0.426900D+00 -0.337633D+01 -0.511789D-01
      3  -0.417192D+01 -0.600708D+01  0.398218D+00 -0.583181D+01 -0.790339D+00
      4   0.130484D+02  0.707852D+01  0.795852D+00  0.426235D+01  0.302020D+01
      5   0.471773D+00 -0.271313D-01 -0.860536D+00  0.103095D+02  0.270768D+00
      6  -0.789885D+00 -0.545398D+00  0.715257D+00  0.306237D+01  0.795515D+00
                81            82            83            84            85 
      1   0.661951D+01  0.473904D+01  0.158376D+02  0.501590D+01 -0.205690D+01
      2  -0.542114D+01 -0.537588D+01 -0.116169D+02 -0.174866D+01  0.108338D+02
      3  -0.119838D+01  0.636841D+00 -0.422066D+01 -0.326724D+01 -0.877693D+01
      4   0.128561D+01  0.924370D+01 -0.103375D+02  0.522370D+00  0.485944D+01
      5   0.457443D+00  0.228610D+01  0.255136D+00 -0.122636D+01  0.180499D+01
      6   0.782472D+00  0.334325D+01 -0.343832D+01 -0.429341D+01  0.535853D+01
                86            87            88            89            90 
      1   0.485284D+01  0.269495D+01  0.807463D+00  0.511055D+01 -0.141880D+02
      2  -0.924627D+01 -0.208463D+01  0.231294D+01 -0.631901D+01  0.208119D+01
      3   0.439344D+01 -0.610320D+00 -0.312040D+01  0.120846D+01  0.121069D+02
      4   0.148435D+02  0.204789D+01  0.118553D+01 -0.150530D+01  0.317295D+01
      5   0.198240D+01  0.102885D+01  0.417358D+01  0.301218D+01 -0.178075D+01
      6  -0.357220D+01  0.578770D+01 -0.308464D+01  0.138725D+02  0.472407D+00
                91            92            93            94            95 
      1   0.412439D+01 -0.219214D+02 -0.238543D+01  0.227651D+02  0.110216D+02
      2  -0.403670D+01  0.147440D+02  0.122890D+01 -0.211421D+02 -0.145999D+02
      3  -0.876925D-01  0.717734D+01  0.115653D+01 -0.162292D+01  0.357830D+01
      4  -0.138136D+02 -0.676725D+01 -0.554181D+01  0.660593D+01 -0.539113D+01
      5  -0.440382D+01 -0.512779D+01 -0.422224D+00 -0.488475D+00 -0.525794D+01
      6  -0.570612D+01 -0.176609D+01  0.349701D+01 -0.419630D+01 -0.859214D+01
                96            97            98            99           100 
      1   0.236688D+01  0.226866D+01 -0.315437D+01 -0.442699D+01 -0.130146D+02
      2  -0.521056D+01 -0.603361D+01 -0.469759D+01 -0.530425D+01  0.845854D+01
      3   0.284368D+01  0.376496D+01  0.785196D+01  0.973123D+01  0.455609D+01
      4  -0.498957D+01 -0.527604D+01 -0.914806D+01  0.134364D+02 -0.160946D+01
      5   0.974292D+01  0.125244D+02  0.142046D+02  0.681238D+01 -0.787271D+01
      6   0.383771D+01  0.587127D+01  0.130554D+02  0.248417D+01  0.100239D+01
               101           102           103           104           105 
      1  -0.682239D+00 -0.651898D+01  0.385527D+01 -0.227453D+02 -0.618910D+01
      2   0.482376D+00  0.385219D+01 -0.221108D+01  0.194166D+02  0.782103D+01
      3   0.199863D+00  0.266679D+01 -0.164419D+01  0.332868D+01 -0.163194D+01
      4   0.214470D+02  0.101452D+01 -0.204163D+02 -0.651035D+01 -0.365657D+01
      5   0.901902D+00  0.143452D+02 -0.942659D+01 -0.268006D+01 -0.126973D+01
      6   0.787535D+00  0.112701D+01 -0.309132D+01  0.339188D+01 -0.281318D+01
               106           107           108           109           110 
      1  -0.914108D+01 -0.643036D+01  0.124484D+02  0.359039D+01  0.227928D+02
      2   0.359633D+01  0.563247D+01 -0.168763D+02 -0.587588D+01 -0.140044D+02
      3   0.554476D+01  0.797889D+00  0.442789D+01  0.228549D+01 -0.878835D+01
      4  -0.102203D+02  0.479680D+00 -0.778899D+00  0.200872D+02  0.955434D+00
      5   0.327757D+02  0.290000D+00  0.504430D+01  0.656541D+00  0.363495D+01
      6   0.200963D+00  0.456800D+01 -0.269663D+01  0.238469D+01 -0.301165D+01
               111           112           113           114           115 
      1   0.476065D+01 -0.223718D+02  0.758104D+01  0.121755D+01 -0.649649D+01
      2  -0.657555D+00  0.219499D+02 -0.123602D+02 -0.120220D+01  0.756648D+01
      3  -0.410310D+01  0.421870D+00  0.477912D+01 -0.153500D-01 -0.106999D+01
      4   0.409688D+01  0.532938D+01  0.129865D+02  0.776865D+01  0.196989D+01
      5   0.507923D+01 -0.332558D+01  0.699144D+01 -0.901527D+01  0.166357D+02
      6  -0.505209D+01  0.594334D+01 -0.529549D+01  0.473479D+01 -0.686855D+01
               116           117           118           119           120 
      1   0.612767D+01  0.656799D+00  0.595805D+01 -0.137790D+02 -0.158253D+00
      2  -0.841324D+01 -0.641615D+01 -0.540861D+01  0.114558D+02 -0.374775D+00
      3   0.228558D+01  0.575935D+01 -0.549445D+00  0.232312D+01  0.533028D+00
      4   0.761436D+01 -0.131658D+02 -0.130180D+02 -0.167924D+02 -0.381037D+01
      5  -0.137727D+02 -0.583487D+01 -0.650206D+00 -0.360416D+01 -0.377099D+01
      6   0.122836D+02 -0.216611D+01 -0.326382D+01 -0.162489D+01  0.358624D+01
               121           122           123           124           125 
      1   0.156812D+01  0.904542D+01  0.494876D+01  0.181994D+01  0.220116D+01
      2  -0.906535D+01 -0.119484D+02 -0.610205D+01 -0.419615D+01 -0.703681D+01
      3   0.749724D+01  0.290302D+01  0.115329D+01  0.237621D+01  0.483565D+01
      4   0.117540D+02 -0.122591D+02 -0.129887D+01  0.401903D-01 -0.430035D+01
      5   0.674711D+00 -0.138407D+01 -0.156433D+01  0.667067D+00 -0.463752D+01
      6  -0.455647D+01 -0.908502D+01  0.301451D+01  0.329400D+01  0.119328D+02
               126           127           128           129           130 
      1  -0.146217D+02 -0.463437D+01  0.762507D+01  0.321789D+00  0.832158D+01
      2  -0.258493D+00  0.692119D+01 -0.105808D+02 -0.322379D+00 -0.115139D+02
      3   0.148802D+02 -0.228682D+01  0.295571D+01  0.590483D-03  0.319233D+01
      4  -0.604665D+01 -0.749617D+01  0.761013D+01  0.709209D+00  0.731383D+01
      5  -0.573256D+01 -0.522862D+00  0.854702D+00  0.751725D+00  0.821684D+00
      6   0.523607D+01  0.169185D-01 -0.121409D+00 -0.217475D+01 -0.105532D+01
               131           132           133           134           135 
      1  -0.249818D+02 -0.200334D+01  0.289292D+00 -0.200067D+01 -0.105501D+01
      2   0.340751D+02  0.156791D+01 -0.711263D+00  0.260763D+01  0.170648D+01
      3  -0.909329D+01  0.435428D+00  0.421970D+00 -0.606957D+00 -0.651461D+00
      4  -0.697815D+01 -0.402408D+00  0.363003D+00  0.550944D-02 -0.167441D+01
      5  -0.932914D+00 -0.860462D+00  0.643661D+00 -0.887787D+00  0.846292D-01
      6   0.250065D+01  0.539124D+01 -0.906331D+00  0.219070D+01  0.666575D+00
               136           137           138           139           140 
      1   0.872883D+01  0.695558D+01  0.131949D+01  0.121061D+01 -0.100138D+02
      2   0.188980D+01  0.418386D+01 -0.138422D+00  0.102730D+02  0.310748D+02
      3  -0.106186D+02 -0.111394D+02 -0.118107D+01 -0.114836D+02 -0.210610D+02
      4   0.227032D+02  0.255628D+02  0.515957D+01  0.268882D+02  0.470759D+02
      5   0.487458D+01  0.503323D+01  0.520713D+01  0.496161D+01  0.792102D+01
      6   0.347985D+01  0.383183D+01  0.340901D+01  0.486610D+01  0.102640D+02
               141           142           143           144           145 
      1  -0.212092D+01  0.992606D+00 -0.126302D+01 -0.122125D+01  0.997990D+02
      2   0.364052D+01  0.127761D+01  0.458465D+01  0.252109D+01 -0.574833D+02
      3  -0.151960D+01 -0.227022D+01 -0.332163D+01 -0.129984D+01 -0.423156D+02
      4   0.829784D+01  0.645301D+01  0.100284D+02  0.426743D+01  0.349300D+01
      5   0.643331D+01  0.257590D+01  0.353713D+01  0.240459D+01  0.121949D+02
      6   0.826844D+01  0.248090D+01  0.502391D+01  0.295995D+01 -0.202800D+01
               146           147           148           149           150 
      1   0.288740D+01  0.797886D+01  0.157847D+01  0.956356D+01  0.112901D+01
      2  -0.145162D+01 -0.565092D+01 -0.726244D+00 -0.471996D+01 -0.972905D+00
      3  -0.143579D+01 -0.232794D+01 -0.852225D+00 -0.484360D+01 -0.156105D+00
      4   0.851968D+01 -0.881233D-01  0.149014D+02  0.109687D+01  0.146048D+01
      5  -0.120766D-01  0.117737D+02  0.227606D+01  0.154995D+01  0.561568D+00
      6   0.585406D+00 -0.316987D-01  0.108700D+01 -0.138843D+00  0.142622D+01
               151           152           153           154           155 
      1   0.102960D+02  0.134719D+01  0.483009D+01  0.155470D+02 -0.105203D+02
      2  -0.626816D+01 -0.833984D+00 -0.314205D+01 -0.576873D+00 -0.320500D+01
      3  -0.402781D+01 -0.513207D+00 -0.168805D+01 -0.149701D+02  0.137253D+02
      4   0.241742D+01  0.118985D+01  0.401087D+00 -0.288817D+02  0.292802D+02
      5   0.512944D+01  0.238663D+00  0.269846D+01 -0.352117D+01  0.263939D+01
      6  -0.292308D-01  0.712040D+00  0.265135D+00  0.116966D+01 -0.888979D+00
               156           157           158           159           160 
      1  -0.139539D+01 -0.564558D+01 -0.170893D+01  0.822079D-01  0.252658D+00
      2   0.417572D+00 -0.877661D+01  0.234557D+02  0.105028D+01 -0.141109D+01
      3   0.977816D+00  0.144222D+02 -0.217468D+02 -0.113249D+01  0.115843D+01
      4   0.249993D+01  0.319182D+02 -0.472149D+02 -0.530604D+01  0.356821D+01
      5   0.509897D+01  0.457698D+01 -0.592639D+01 -0.592661D+01  0.233673D+01
      6  -0.304335D+01 -0.279247D+01  0.443067D+01  0.627795D+01 -0.192815D+01
               161           162           163           164           165 
      1  -0.963767D+00 -0.540161D+00 -0.502563D+01 -0.758781D+01 -0.275215D+01
      2   0.275545D+01  0.172528D+01  0.641516D+01  0.894175D+01  0.169791D+01
      3  -0.179168D+01 -0.118512D+01 -0.138953D+01 -0.135394D+01  0.105424D+01
      4  -0.559462D+01 -0.362526D+01  0.550637D+01  0.734394D+01  0.126144D+01
      5  -0.263363D+01 -0.132853D+01  0.404211D+00  0.894283D+00  0.144280D+01
      6   0.335304D+01  0.167029D+01  0.264950D+01  0.387019D+01  0.291989D+01
               166           167           168           169           170 
      1  -0.797686D+01 -0.283411D+02 -0.711185D+01 -0.244639D+01 -0.673067D+01
      2   0.101571D+02  0.364408D+02  0.624083D+01  0.259061D+01  0.733985D+01
      3  -0.218020D+01 -0.809966D+01  0.871024D+00 -0.144215D+00 -0.609178D+00
      4   0.607116D+01  0.227240D+01  0.115597D+00  0.135667D+01  0.935019D+00
      5   0.718140D+00 -0.539610D+00  0.212516D+00  0.119730D+01  0.728122D+00
      6   0.338187D+01  0.114224D+02  0.821270D+01  0.156833D+01  0.486608D+01
               171 
      1  -0.311594D+01
      2   0.320455D+01
      3  -0.886124D-01
      4   0.203244D+01
      5   0.984237D+00
      6   0.340539D+01
 Leave Link  716 at Fri Aug 13 11:38:48 2021, MaxMem=  5637144576 cpu:               2.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.125723D+03  0.143587D+01  0.217056D+01
      2   0.143587D+01  0.104748D+03  0.533162D+01
      3   0.217056D+01  0.533162D+01  0.691692D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.776272D+00  0.681547D+00  0.723738D+01
      2   0.938988D+01  0.882538D+01 -0.173469D+01
      3  -0.665348D+01 -0.394811D+02 -0.834063D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.949038D+02  0.544952D+01  0.814417D+01
      2  -0.416385D+02 -0.140086D+02 -0.127156D+02
      3  -0.532653D+02  0.855909D+01  0.457142D+01
      4  -0.265455D+02  0.706848D+02  0.209510D+02
      5   0.264283D+02  0.224705D+02 -0.775839D+01
      6   0.839252D+01  0.923730D+01 -0.151803D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.284895D+01  0.235320D+01 -0.627340D+00  0.103885D+01 -0.227394D+01
      2   0.235320D+01 -0.135765D+01  0.897084D+00 -0.227394D+01  0.277906D+01
      3  -0.627340D+00  0.897084D+00 -0.214832D-01  0.110271D+01 -0.217687D+01
                 6             7             8             9            10 
      1   0.110271D+01 -0.166007D+01  0.137481D+01 -0.575596D+00  0.312942D+01
      2  -0.217687D+01  0.137481D+01 -0.268345D+01 -0.565473D+00  0.161775D+01
      3  -0.143716D+01 -0.575596D+00 -0.565473D+00 -0.450740D+01  0.187708D-02
                11            12            13            14            15 
      1   0.161775D+01  0.187708D-02  0.566933D+01  0.375033D+01 -0.106988D+01
      2   0.178594D+01 -0.855975D+00  0.375033D+01  0.101271D-01  0.533009D+00
      3  -0.855975D+00  0.109685D+01 -0.106988D+01  0.533009D+00  0.411941D+01
                16            17            18            19            20 
      1  -0.447597D+00 -0.136574D+01  0.394929D+01 -0.593962D+00  0.427659D+00
      2  -0.136574D+01 -0.341214D+00  0.319545D+01  0.427659D+00 -0.443125D+00
      3   0.394929D+01  0.319545D+01  0.506889D+01  0.342168D+00 -0.206263D+00
                21            22            23            24            25 
      1   0.342168D+00  0.102891D+01 -0.759166D+00 -0.447320D+00  0.179769D+01
      2  -0.206263D+00 -0.759166D+00  0.210104D+01  0.105595D+01 -0.102942D+01
      3  -0.426954D+00 -0.447320D+00  0.105595D+01  0.154174D+01 -0.115065D+01
                26            27            28            29            30 
      1  -0.102942D+01 -0.115065D+01 -0.188317D+01 -0.758322D+00 -0.174308D+01
      2   0.258761D+01  0.205657D+01 -0.758322D+00 -0.603744D+00 -0.235350D+00
      3   0.205657D+01  0.410630D+01 -0.174308D+01 -0.235350D+00 -0.146951D+01
                31            32            33            34            35 
      1  -0.246062D+01 -0.153904D+01 -0.604403D+00 -0.385172D+01 -0.541078D+00
      2  -0.153904D+01 -0.124891D+01 -0.150175D+01 -0.541078D+00 -0.144544D+01
      3  -0.604403D+00 -0.150175D+01 -0.223823D+01 -0.286066D+01 -0.177247D+01
                36            37            38            39            40 
      1  -0.286066D+01  0.807422D+01  0.839349D+00  0.152804D+01 -0.234310D+01
      2  -0.177247D+01  0.839349D+00 -0.259212D+01  0.728646D+00 -0.339942D+01
      3  -0.753631D+01  0.152804D+01  0.728646D+00 -0.157358D+01  0.145855D+01
                41            42            43            44            45 
      1  -0.339942D+01  0.145855D+01  0.484175D+01  0.202566D+01 -0.206256D+01
      2   0.281600D+01  0.507439D+00  0.202566D+01  0.880999D+00 -0.289446D+01
      3   0.507439D+00 -0.315544D+01 -0.206256D+01 -0.289446D+01 -0.440905D+01
                46            47            48            49            50 
      1  -0.154169D+02 -0.231445D+01 -0.498727D+00 -0.295173D+01  0.178278D+01
      2  -0.231445D+01 -0.270652D+01 -0.122767D+00  0.178278D+01 -0.990839D-01
      3  -0.498727D+00 -0.122767D+00 -0.176383D+01  0.886462D+00  0.377571D-02
                51            52            53            54            55 
      1   0.886462D+00 -0.598167D+00  0.889328D+00 -0.350668D+01 -0.439620D+00
      2   0.377571D-02  0.889328D+00  0.500654D-01 -0.541980D+00  0.232334D+00
      3  -0.281346D+00 -0.350668D+01 -0.541980D+00 -0.161128D+01  0.735196D+00
                56            57            58            59            60 
      1   0.232334D+00  0.735196D+00  0.974911D+00  0.247081D+00 -0.443852D+00
      2   0.593486D+00 -0.794207D-01  0.247081D+00  0.607188D+00  0.115021D+01
      3  -0.794207D-01  0.101854D+01 -0.443852D+00  0.115021D+01  0.211696D+01
                61            62            63            64            65 
      1   0.109295D+01  0.195708D-01 -0.636176D+00  0.901321D+00 -0.958564D+00
      2   0.195708D-01  0.135678D+01  0.751348D+00 -0.958564D+00  0.147363D+01
      3  -0.636176D+00  0.751348D+00  0.734119D+01 -0.352996D+00 -0.330497D+00
                66            67            68            69            70 
      1  -0.352996D+00 -0.172603D+01  0.495518D+00  0.793957D-01 -0.771600D+00
      2  -0.330497D+00  0.495518D+00 -0.728459D+01  0.614578D+00 -0.283750D+00
      3   0.662982D+00  0.793957D-01  0.614578D+00 -0.101158D+01  0.331119D+00
                71            72            73            74            75 
      1  -0.283750D+00  0.331119D+00 -0.132827D+02 -0.220024D+01  0.497858D-01
      2   0.288749D+00 -0.782325D+00 -0.220024D+01 -0.136430D+01  0.124640D+00
      3  -0.782325D+00  0.575458D+00  0.497858D-01  0.124640D+00 -0.123509D+01
                76            77            78            79            80 
      1  -0.638395D+00 -0.126634D+01 -0.205297D+00 -0.194148D+01 -0.443306D+00
      2  -0.126634D+01 -0.866183D+00 -0.111947D+00 -0.443306D+00 -0.543033D+00
      3  -0.205297D+00 -0.111947D+00  0.291646D+00 -0.113685D+01  0.797093D-01
                81            82            83            84            85 
      1  -0.113685D+01  0.413317D+01 -0.935525D+00  0.313450D+00  0.722715D+01
      2   0.797093D-01 -0.935525D+00 -0.265820D+01 -0.750066D+00  0.151435D+00
      3  -0.664256D-01  0.313450D+00 -0.750066D+00 -0.169489D+01  0.654783D-01
                86            87            88            89            90 
      1   0.151435D+00  0.654783D-01  0.235432D+01 -0.335458D+00 -0.164162D+01
      2   0.152391D+01 -0.527123D+00 -0.335458D+00 -0.132333D+01  0.340535D+01
      3  -0.527123D+00  0.188018D+01 -0.164162D+01  0.340535D+01  0.906621D+00
                91            92            93            94            95 
      1  -0.306582D+01 -0.120245D+00 -0.509112D+00  0.459040D+01 -0.252050D+00
      2  -0.120245D+00  0.231733D+01 -0.383894D+00 -0.252050D+00  0.982161D+00
      3  -0.509112D+00 -0.383894D+00  0.921225D+00 -0.221969D+00 -0.743432D+00
                96            97            98            99           100 
      1  -0.221969D+00  0.214778D+00 -0.892258D+00  0.204288D+01  0.497064D+01
      2  -0.743432D+00 -0.892258D+00 -0.680801D+00  0.345479D+01  0.246166D+00
      3   0.176038D+01  0.204288D+01  0.345479D+01  0.201368D+01 -0.612061D+00
               101           102           103           104           105 
      1   0.246166D+00 -0.612061D+00  0.736067D+00 -0.406747D+00 -0.101869D+01
      2   0.307177D+01  0.100276D+00 -0.406747D+00 -0.249225D-01 -0.332510D+00
      3   0.100276D+00  0.240348D+01 -0.101869D+01 -0.332510D+00 -0.916481D-01
               106           107           108           109           110 
      1  -0.465796D+00 -0.987625D+00  0.489531D+01 -0.219851D+01 -0.117169D+00
      2  -0.987625D+00  0.111117D+00  0.648080D-01 -0.117169D+00  0.200637D+01
      3   0.489531D+01  0.648080D-01  0.131545D+01 -0.422089D+00  0.693973D+00
               111           112           113           114           115 
      1  -0.422089D+00 -0.487389D+01 -0.613495D+00 -0.815088D+00 -0.152798D+01
      2   0.693973D+00 -0.613495D+00 -0.792351D+00  0.904372D+00 -0.277447D+00
      3   0.146013D+01 -0.815088D+00  0.904372D+00 -0.182594D+01  0.263523D+01
               116           117           118           119           120 
      1  -0.277447D+00  0.263523D+01  0.351706D+01  0.172113D+01  0.511220D+00
      2   0.163346D+01 -0.303271D+01  0.172113D+01 -0.235610D+01  0.127708D+00
      3  -0.303271D+01 -0.916778D+00  0.511220D+00  0.127708D+00 -0.970116D+00
               121           122           123           124           125 
      1  -0.613427D+01 -0.762025D+00  0.306642D+00 -0.132026D+00  0.884949D+00
      2  -0.762025D+00 -0.131964D+01  0.925225D+00  0.884949D+00  0.499199D+00
      3   0.306642D+00  0.925225D+00 -0.156236D+01 -0.930753D+00 -0.316477D+01
               126           127           128           129           130 
      1  -0.930753D+00 -0.284024D+01  0.216321D+01  0.380193D-01  0.225930D+01
      2  -0.316477D+01  0.216321D+01 -0.254022D+01 -0.867324D-01 -0.277221D+01
      3  -0.218598D+01  0.380193D-01 -0.867324D-01 -0.302469D+00 -0.244683D+00
               131           132           133           134           135 
      1  -0.277221D+01 -0.244683D+00 -0.237516D+00 -0.720956D-01  0.221783D-01
      2   0.704292D+01  0.477679D+00 -0.720956D-01  0.559852D+00  0.173372D+00
      3   0.477679D+00  0.808110D+00  0.221783D-01  0.173372D+00  0.293364D-01
               136           137           138           139           140 
      1   0.293771D+01  0.302083D+01  0.717478D+00  0.268716D+01  0.401992D+01
      2   0.302083D+01  0.316982D+01  0.705640D+00  0.401992D+01  0.868019D+01
      3   0.717478D+00  0.705640D+00  0.636986D+00  0.792174D+00  0.158680D+01
               141           142           143           144           145 
      1   0.792174D+00  0.735306D+00  0.988460D+00  0.346083D+00  0.131412D+02
      2   0.158680D+01  0.988460D+00  0.183019D+01  0.533532D+00  0.380378D+00
      3   0.123687D+01  0.346083D+00  0.533532D+00  0.308124D+00  0.127687D+01
               146           147           148           149           150 
      1   0.380378D+00  0.127687D+01  0.258112D+00  0.160494D+01  0.288526D+00
      2   0.805814D+00  0.670406D-03  0.160494D+01  0.142051D+00  0.176611D+00
      3   0.670406D-03  0.116161D+01  0.288526D+00  0.176611D+00  0.656939D-01
               151           152           153           154           155 
      1   0.145816D+01  0.311633D+00  0.297810D+00  0.405585D+01 -0.354702D+01
      2   0.311633D+00  0.988500D-01 -0.206137D-02 -0.354702D+01  0.353385D+01
      3   0.297810D+00 -0.206137D-02  0.249349D+00 -0.343483D+00  0.257054D+00
               156           157           158           159           160 
      1  -0.343483D+00 -0.337360D+01  0.441103D+01  0.626781D+00 -0.292777D+00
      2   0.257054D+00  0.441103D+01 -0.759863D+01 -0.882918D+00  0.504462D+00
      3   0.580920D+00  0.626781D+00 -0.882918D+00 -0.963019D+00  0.183650D+00
               161           162           163           164           165 
      1   0.504462D+00  0.183650D+00 -0.229071D+01 -0.205048D+01 -0.405209D+00
      2  -0.106790D+01 -0.365566D+00 -0.205048D+01 -0.213604D+01 -0.584726D+00
      3  -0.365566D+00 -0.241598D+00 -0.405209D+00 -0.584726D+00 -0.484800D+00
               166           167           168           169           170 
      1  -0.196857D+01 -0.241860D+01 -0.535546D+00 -0.568193D+00 -0.770694D+00
      2  -0.241860D+01 -0.745034D+01 -0.165911D+01 -0.770694D+00 -0.181171D+01
      3  -0.535546D+00 -0.165911D+01 -0.125426D+01 -0.202000D+00 -0.593119D+00
               171 
      1  -0.202000D+00
      2  -0.593119D+00
      3  -0.439567D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.320429D+00 -0.107458D+00  0.704525D+00  0.140762D+00 -0.299428D+00
      2  -0.727332D+00 -0.135705D+00  0.435144D+01 -0.829082D+00  0.368104D+01
      3   0.280290D+01 -0.851661D+01  0.929720D+00  0.102025D+01  0.788948D+01
                 6             7             8             9            10 
      1  -0.132214D+01 -0.373120D+01  0.614699D+01  0.768923D+01 -0.206724D+01
      2   0.275896D+01 -0.118465D+01  0.352422D+01  0.109989D+02  0.114629D+01
      3  -0.512270D+01  0.172330D+00 -0.588469D+01 -0.221713D+01  0.640538D+01
                11            12            13            14            15 
      1  -0.248114D+00  0.847961D+00 -0.125185D+01 -0.215411D+00  0.379747D+00
      2   0.130772D+01 -0.863702D+00  0.371655D+01  0.931773D+00 -0.665026D+01
      3   0.200660D+01 -0.859024D-01  0.136528D+02 -0.608659D+01  0.118845D+01
                16            17            18            19            20 
      1   0.408045D+01  0.519260D+01 -0.537210D+00 -0.385335D+00  0.375517D+00
      2  -0.148537D+02 -0.702961D+01 -0.780053D+01 -0.189004D+01  0.670329D+00
      3  -0.809498D+00 -0.127902D+01  0.624756D+01  0.206735D+01 -0.265154D+00
                21            22            23            24            25 
      1   0.494117D+00  0.870341D+00 -0.260138D+01 -0.356844D+01  0.264379D+01
      2   0.981607D+00  0.848587D+00 -0.297565D+01 -0.417113D+01  0.847632D+00
      3   0.381765D-01  0.453709D+00  0.425944D+01  0.266815D+01 -0.133223D+00
                26            27            28            29            30 
      1  -0.282569D+01 -0.839019D+01 -0.504275D+00  0.959589D+00 -0.590442D+00
      2  -0.571215D+01 -0.106503D+02  0.170819D+01  0.290739D+00  0.276706D+01
      3   0.642006D+01  0.496627D+01 -0.168990D+01 -0.311409D+01 -0.257970D+00
                31            32            33            34            35 
      1   0.981252D+00  0.820181D+00 -0.704525D+00 -0.106060D+01  0.218815D+01
      2  -0.353143D+00  0.163913D+01  0.408815D+01  0.150699D+01  0.282885D+01
      3  -0.186992D+01 -0.171972D+01 -0.323060D+01 -0.896978D-01 -0.295329D+01
                36            37            38            39            40 
      1  -0.143590D+01  0.360568D+01 -0.207958D+01 -0.235539D+01  0.825075D+00
      2   0.123544D+02 -0.109938D+02 -0.356257D+01  0.644523D+01 -0.529311D+01
      3  -0.361526D+01 -0.796411D+01 -0.130969D+02  0.263049D-01 -0.718076D+01
                41            42            43            44            45 
      1   0.612546D+01 -0.691493D+01 -0.108655D+01 -0.224157D+01 -0.699564D+01
      2  -0.103480D+00  0.748213D+01  0.154247D+01  0.702311D+01  0.125976D+02
      3   0.151993D+02 -0.679674D-01  0.185086D+01 -0.515311D+00 -0.643144D+01
                46            47            48            49            50 
      1   0.701697D+00 -0.638666D+00 -0.381205D+00 -0.312716D+01 -0.159213D+01
      2   0.151404D+00 -0.154173D+01 -0.114472D+01 -0.126255D+01  0.428706D+00
      3  -0.686916D+01  0.528700D+01  0.558595D+00  0.138683D+02 -0.135377D-01
                51            52            53            54            55 
      1   0.124165D+01  0.897664D+00  0.928855D+01  0.243191D+01  0.127663D+01
      2   0.111512D+01 -0.123048D+02  0.427109D+00  0.331485D+00 -0.237082D+01
      3   0.257210D+00 -0.685025D+00  0.228718D+01 -0.764492D+00  0.125414D+01
                56            57            58            59            60 
      1   0.108056D+01  0.889328D+00  0.213568D+00  0.272654D+01  0.227415D+01
      2  -0.185007D+00 -0.240897D+01 -0.381633D+00 -0.314902D+01 -0.525247D+01
      3   0.110363D+01 -0.879318D+00  0.134658D+01  0.129662D+01  0.313733D+01
                61            62            63            64            65 
      1  -0.438108D+00  0.504946D+01  0.949602D+01 -0.212176D+01  0.137306D+01
      2  -0.227807D+01 -0.258410D+01 -0.183338D+02 -0.280172D+00  0.120137D+01
      3  -0.106617D+01  0.371351D+01  0.278038D+01 -0.740056D+01  0.550444D+01
                66            67            68            69            70 
      1   0.163736D+01  0.126101D+01 -0.544631D+01 -0.288660D+01  0.855227D+00
      2  -0.922884D+00  0.123337D+01 -0.238901D+01  0.188575D+01 -0.166451D+01
      3   0.413880D+00  0.759858D+01 -0.203820D+02  0.122513D+01  0.134597D+01
                71            72            73            74            75 
      1   0.271157D+00  0.116285D+00 -0.608442D+00 -0.813658D+00 -0.175812D+01
      2   0.159492D+01 -0.137269D+01  0.750427D+01  0.820254D+00  0.618775D+01
      3   0.745715D+00 -0.285743D+01  0.909748D+01 -0.451711D+01  0.446871D+00
                76            77            78            79            80 
      1  -0.844336D+00 -0.700342D+00 -0.366484D+00 -0.137634D+01  0.685503D+00
      2   0.120106D+01  0.809040D+00 -0.518763D+00  0.240501D+01 -0.400346D+00
      3  -0.109986D+01 -0.169633D+01 -0.334561D+00  0.175606D+00 -0.100117D+01
                81            82            83            84            85 
      1   0.544009D-01 -0.112999D+01 -0.396716D-01  0.225532D+01 -0.877116D+00
      2   0.719798D+00  0.226095D+01  0.146409D+00 -0.881774D+00  0.284492D+01
      3   0.172731D+01  0.638963D+01 -0.212260D+01  0.139239D+01  0.652502D+01
                86            87            88            89            90 
      1  -0.179926D+00 -0.257229D+01  0.509611D+01  0.322067D+01  0.867480D-01
      2   0.913960D+00  0.104056D+01 -0.121960D+02  0.665109D+00 -0.733745D+00
      3  -0.517091D+01  0.509455D+00  0.185268D+01 -0.887342D+00 -0.515000D+01
                91            92            93            94            95 
      1   0.108158D+01  0.638618D+00 -0.151221D+01  0.859966D+00  0.249155D-01
      2   0.790521D-01  0.114374D+01  0.639847D+00  0.733442D+00 -0.255549D+01
      3  -0.363183D+01 -0.955873D+01 -0.173082D+01  0.575622D+01 -0.193288D+01
                96            97            98            99           100 
      1  -0.229669D+01 -0.499755D+01  0.166651D+01 -0.825903D+00  0.840219D-01
      2   0.475959D+01 -0.688211D+01  0.865561D+01  0.350003D+01 -0.151185D+00
      3   0.155047D+01 -0.656051D-01  0.176723D+01 -0.463285D+01  0.574586D+00
               101           102           103           104           105 
      1  -0.928083D+00 -0.506876D+00 -0.121653D+01 -0.245470D+01  0.143232D+01
      2  -0.461515D-01  0.675655D+01 -0.322427D+01 -0.830987D-02 -0.442600D+00
      3  -0.676195D+01 -0.806158D-02  0.109392D+02  0.344004D+01  0.175280D+01
               106           107           108           109           110 
      1  -0.920433D+00  0.108396D+02  0.171756D+01 -0.108525D+01  0.361926D-01
      2   0.684014D+01  0.574964D+00  0.195583D+01 -0.466836D+00  0.219489D+01
      3   0.333332D+01  0.109669D+01  0.757311D+00 -0.143048D+01 -0.125086D+02
               111           112           113           114           115 
      1   0.226435D+01 -0.134480D+01  0.342256D+00 -0.200349D+01  0.598640D+01
      2   0.224105D+01 -0.840519D+00  0.269514D+01 -0.459220D+01 -0.517413D+01
      3  -0.196870D+01  0.479403D+01 -0.138450D+01 -0.185412D+01 -0.292381D+00
               116           117           118           119           120 
      1   0.263306D+01  0.177840D+01  0.285803D+00  0.766533D+00 -0.180643D+01
      2  -0.923898D+01 -0.236247D+01  0.305728D+01  0.167398D+01 -0.816915D+00
      3  -0.403471D+01  0.377303D+01 -0.775147D-01 -0.239219D+01 -0.206659D+01
               121           122           123           124           125 
      1   0.129522D+01 -0.678387D+00 -0.237517D+01 -0.512540D+01  0.272430D+01
      2   0.127388D+01 -0.114323D+01 -0.168361D+01 -0.126892D+02 -0.102927D+01
      3   0.138117D+01  0.693266D+01  0.480477D-01 -0.374046D+01 -0.657401D+00
               126           127           128           129           130 
      1  -0.142341D+01  0.381472D+00 -0.487079D+00  0.168307D+01  0.292320D+00
      2  -0.320842D+01  0.116057D+01 -0.423646D+00  0.173930D+00 -0.407796D+00
      3   0.522366D+01 -0.874425D+01  0.424172D+01  0.253490D-01  0.719099D+01
               131           132           133           134           135 
      1  -0.266406D-01 -0.328073D+01 -0.391785D+00  0.151647D+01  0.403929D-01
      2   0.957731D+00 -0.745999D+00 -0.156900D+01  0.406817D+00 -0.143293D-01
      3  -0.655513D+01 -0.856575D+00 -0.439014D+00  0.111814D+00  0.222207D-02
               136           137           138           139           140 
      1  -0.171435D+00 -0.215093D-02 -0.198930D+01 -0.134154D+00  0.454518D+00
      2   0.494992D+00  0.745651D+00  0.208910D+01  0.641731D+00  0.253209D+01
      3  -0.986183D+00 -0.287129D+01 -0.487167D+00 -0.203955D+01 -0.129992D+02
               141           142           143           144           145 
      1  -0.403377D+01  0.549402D+00  0.182231D+01 -0.406305D+00 -0.816904D-01
      2   0.354692D+01 -0.406557D+00  0.200194D-01  0.670764D+00  0.175933D+01
      3  -0.218065D+01 -0.673979D+00 -0.270274D+01 -0.475601D+00  0.652252D-01
               146           147           148           149           150 
      1   0.430307D+00 -0.197219D+00  0.233250D+00 -0.358811D-01 -0.268716D+00
      2  -0.136008D+00  0.651258D+01  0.120042D+01  0.368412D+00  0.371251D+00
      3  -0.519618D+01  0.226379D+00 -0.405856D+01 -0.282510D+00 -0.461793D+00
               151           152           153           154           155 
      1   0.106672D+00  0.631188D+00 -0.792487D-02  0.283048D+00 -0.676809D+00
      2  -0.228844D+01  0.325711D-01  0.691477D+00  0.288328D+00 -0.400242D+00
      3  -0.114942D+01 -0.569918D+00 -0.238887D+00  0.127713D+01 -0.424640D+01
               156           157           158           159           160 
      1   0.207021D+01  0.246292D+00  0.143531D+00 -0.362180D+01 -0.689174D+00
      2   0.234432D+01  0.496631D+00 -0.100803D+01 -0.332577D+01 -0.528194D+00
      3  -0.244807D-01 -0.303300D+01  0.119830D+02  0.104631D+01 -0.837613D+00
               161           162           163           164           165 
      1   0.135427D+01 -0.316674D+00  0.775918D+00  0.360894D+00 -0.174908D+01
      2   0.236242D+00 -0.449722D+00 -0.164370D+01 -0.109816D+01  0.136964D+00
      3   0.204974D+01  0.485766D+00  0.813425D+01  0.465561D+01  0.785635D+00
               166           167           168           169           170 
      1   0.490127D+00  0.927272D+00 -0.370056D+01  0.327338D+00  0.220526D+01
      2  -0.159848D+01 -0.162480D+01  0.334374D+00 -0.200000D+01 -0.721527D+00
      3   0.763200D+01  0.794935D+01  0.180819D+01  0.125131D+01  0.229365D+01
               171 
      1  -0.406080D+00
      2   0.232711D-01
      3   0.419588D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.197226D+02 -0.466408D+01  0.256055D+01 -0.663937D+01  0.217167D+01
      2  -0.772034D+01 -0.865344D+00 -0.109790D+01 -0.849502D+00  0.892810D+01
      3  -0.120023D+02  0.552942D+01 -0.146265D+01  0.748887D+01 -0.110998D+02
      4  -0.160466D+02  0.178199D+02 -0.509939D+01  0.213964D+02 -0.202693D+02
      5   0.467310D+01 -0.445569D+01  0.792006D+01 -0.748744D+01  0.108080D+02
      6  -0.268406D+01  0.181035D+01 -0.268640D+01  0.343338D+01 -0.787240D+01
                 6             7             8             9            10 
      1   0.303133D+00  0.277352D+01  0.164037D+01  0.148178D+01  0.973054D+01
      2  -0.262293D+01 -0.161231D+01 -0.399111D+01 -0.693446D+01 -0.355451D+01
      3   0.231979D+01 -0.116122D+01  0.235073D+01  0.545268D+01 -0.617604D+01
      4   0.108639D+02 -0.896117D+01  0.134633D+02  0.263581D+01 -0.617027D+01
      5   0.412178D+01  0.756909D+01  0.228437D+01  0.222672D+02  0.559480D+00
      6   0.434668D+01  0.378214D+00  0.928013D+00 -0.125429D+02  0.906157D+00
                11            12            13            14            15 
      1   0.132931D+01 -0.381581D+00  0.278283D+01 -0.752277D+01  0.395234D+01
      2   0.128975D+01  0.552544D+00  0.370896D+01  0.365957D+01  0.253503D+00
      3  -0.261906D+01 -0.170963D+00 -0.649179D+01  0.386320D+01 -0.420585D+01
      4  -0.149444D+02  0.375343D+01 -0.251545D+02  0.383616D+01 -0.205187D+01
      5   0.393185D+01 -0.108567D+02  0.781079D+01 -0.220074D+01 -0.156287D+02
      6   0.190618D+01 -0.200261D+01  0.128715D+01  0.396208D+01 -0.889132D+01
                16            17            18            19            20 
      1   0.116195D+02  0.426234D+01  0.369708D+00  0.291764D+01 -0.323303D+01
      2   0.925684D+00  0.261349D+01  0.851946D+01 -0.147557D+01  0.121640D+01
      3  -0.125452D+02 -0.687582D+01 -0.888917D+01 -0.144206D+01  0.201663D+01
      4   0.949559D+01  0.344192D+01 -0.166686D+02 -0.387397D+01  0.212328D+01
      5  -0.199398D+02 -0.152845D+02 -0.208924D+02 -0.221303D+01  0.158823D+01
      6  -0.944004D+01 -0.448149D+01 -0.501622D+01  0.135838D+01 -0.976777D-01
                21            22            23            24            25 
      1  -0.238016D+01 -0.347556D+01 -0.283641D+01 -0.105688D+01 -0.440012D+01
      2   0.614531D+00  0.321853D+00  0.531604D+01  0.274538D+01  0.182366D+01
      3   0.176563D+01  0.315370D+01 -0.247962D+01 -0.168850D+01  0.257645D+01
      4   0.216996D+01  0.536782D+01 -0.958435D+01 -0.549071D+01  0.724265D+01
      5   0.226678D+01  0.248132D+01 -0.510176D+01 -0.714948D+01  0.653086D+01
      6  -0.591492D+00 -0.156587D+01  0.419480D+01  0.631819D+01 -0.352997D+01
                26            27            28            29            30 
      1  -0.880047D+00 -0.257233D+01  0.392962D+01  0.119140D+01  0.421493D+01
      2   0.323908D+01  0.191213D+01 -0.586857D+01 -0.121998D+01 -0.463072D+01
      3  -0.235903D+01  0.660202D+00  0.193895D+01  0.285845D-01  0.415789D+00
      4  -0.125427D+02 -0.101522D+02  0.453680D+01  0.586879D+01  0.220453D+01
      5  -0.976887D+01 -0.192425D+02  0.992777D+01  0.217367D+01  0.122005D+02
      6   0.785654D+01  0.120601D+02  0.276845D+01  0.382739D+00  0.187634D+01
                31            32            33            34            35 
      1   0.127398D+01 -0.207685D+01 -0.331190D+01  0.240726D+01 -0.289858D+01
      2  -0.239202D+01 -0.603415D+00 -0.661169D+00 -0.813000D+01 -0.215523D+01
      3   0.111804D+01  0.268026D+01  0.397307D+01  0.572274D+01  0.505381D+01
      4   0.910983D+01  0.594042D+01  0.683880D+01  0.330038D+01  0.656815D+01
      5   0.375085D+01  0.653902D+01  0.950403D+01  0.179686D+02  0.792955D+01
      6   0.261900D+01  0.493791D+01  0.882122D+01  0.484934D+01  0.642770D+01
                36            37            38            39            40 
      1  -0.105042D+02 -0.536699D+02 -0.147968D+02 -0.182370D+01 -0.731524D+01
      2  -0.141088D+02  0.225492D+02  0.138415D+02  0.402267D+01  0.665927D+01
      3   0.246130D+02  0.311208D+02  0.955326D+00 -0.219897D+01  0.655969D+00
      4   0.812672D+01 -0.168735D+02  0.109922D+02 -0.416629D+01  0.167348D+02
      5   0.320841D+02 -0.238622D+01 -0.175261D+01  0.936155D+01 -0.736632D+01
      6   0.107885D+02 -0.385221D+01 -0.522686D+01  0.349726D+01 -0.589823D+01
                41            42            43            44            45 
      1   0.202095D+02  0.181849D+01 -0.117390D+02 -0.480914D+00  0.124352D+02
      2  -0.218256D+02  0.597068D+01  0.577056D+01  0.394237D+01  0.792606D+01
      3   0.161607D+01 -0.778917D+01  0.596848D+01 -0.346146D+01 -0.203612D+02
      4  -0.698195D+01 -0.301412D+01 -0.143138D+02 -0.449836D+01  0.181047D+02
      5  -0.601188D+01  0.144970D+02  0.137755D+02  0.146743D+02  0.172870D+02
      6   0.528838D-01  0.597918D+01  0.708919D+01  0.583360D+01 -0.888465D+00
                46            47            48            49            50 
      1  -0.199526D+02  0.170387D+00 -0.255938D+00  0.205244D+01 -0.103169D+02
      2   0.666493D+01 -0.869247D+00 -0.294957D+00 -0.230572D+01  0.145910D+02
      3   0.132876D+02  0.698860D+00  0.550895D+00  0.253276D+00 -0.427418D+01
      4   0.109794D+02  0.464281D+01  0.334367D+00 -0.136865D+02 -0.259653D+01
      5  -0.119833D+01 -0.995511D-01  0.798745D+00 -0.336566D+01 -0.118782D+01
      6  -0.957591D+00  0.249065D+00  0.205197D+00 -0.253434D+01  0.305270D+01
                51            52            53            54            55 
      1  -0.423734D+00 -0.658123D+01 -0.146509D+01 -0.100733D+02  0.337143D+01
      2   0.424965D+01  0.147135D+01  0.190036D+01 -0.315192D+01 -0.438543D+01
      3  -0.382591D+01  0.510988D+01 -0.435271D+00  0.132252D+02  0.101400D+01
      4  -0.172011D+01 -0.358454D+01 -0.170414D+01  0.276655D+01  0.146930D+00
      5   0.193780D+01  0.284714D+01  0.204992D+01  0.601673D-01 -0.310949D+01
      6  -0.236636D+01 -0.863672D+00  0.480581D+01 -0.386592D+01  0.225282D-02
                56            57            58            59            60 
      1   0.327476D+00 -0.659453D+01 -0.241769D+01 -0.502194D+01 -0.217025D+01
      2  -0.124162D+01  0.941486D+00  0.174633D+01  0.654397D+00 -0.563035D+01
      3   0.914140D+00  0.565304D+01  0.671357D+00  0.436755D+01  0.780061D+01
      4  -0.205058D+01 -0.714541D+00 -0.562395D+00 -0.402762D+01 -0.562144D+01
      5   0.916010D+00  0.750375D+00  0.380755D+01 -0.428813D+01 -0.944062D+01
      6   0.156794D+01 -0.953088D+00  0.744717D-01  0.210796D+01  0.376952D+01
                61            62            63            64            65 
      1  -0.541904D+01 -0.924271D+00 -0.166288D+02 -0.241622D+01  0.935246D+01
      2   0.436422D+01 -0.402045D+01 -0.175402D+02  0.531726D+01 -0.949544D+01
      3   0.105483D+01  0.494472D+01  0.341690D+02 -0.290104D+01  0.142984D+00
      4  -0.146573D+01 -0.698113D+01 -0.584031D+01  0.136165D+01 -0.163169D+01
      5   0.835805D+01 -0.327618D+01 -0.314204D+02  0.222354D+01 -0.562982D+00
      6   0.834298D+00  0.427414D+01 -0.698212D+01 -0.189261D+00  0.265546D+01
                66            67            68            69            70 
      1  -0.757383D+00  0.892859D+01 -0.246775D+02  0.229156D+01  0.204137D+01
      2  -0.381544D+00 -0.632028D+01  0.373143D+02 -0.151727D+01 -0.140755D+01
      3   0.113893D+01 -0.260831D+01 -0.126367D+02 -0.774296D+00 -0.633815D+00
      4   0.112550D+01  0.424419D+01  0.281189D+02 -0.246677D+01  0.216667D+01
      5  -0.212901D+01 -0.269639D+01 -0.253396D+00  0.367595D+01 -0.355380D+00
      6  -0.264350D+01  0.599903D+00 -0.988482D+01  0.633873D+01 -0.154243D+01
                71            72            73            74            75 
      1   0.210655D+01 -0.600650D+01  0.841857D+02  0.106296D+02  0.212540D+01
      2  -0.651162D+00  0.344466D+01 -0.402698D+02 -0.256231D+01  0.522996D+00
      3  -0.145539D+01  0.256184D+01 -0.439159D+02 -0.806729D+01 -0.264839D+01
      4  -0.471699D+00  0.172246D+01  0.311610D+02  0.151056D+02 -0.995573D-01
      5   0.247749D+01 -0.178190D+01 -0.975179D+01 -0.187688D+01  0.105777D+02
      6   0.645011D+01 -0.130108D+01 -0.400449D+00 -0.147083D+01  0.335444D+01
                76            77            78            79            80 
      1   0.260477D+01  0.596563D+01  0.286825D-01  0.920814D+01  0.841518D+00
      2   0.156715D+01  0.414527D-01 -0.426900D+00 -0.337633D+01 -0.511789D-01
      3  -0.417192D+01 -0.600708D+01  0.398218D+00 -0.583181D+01 -0.790339D+00
      4   0.130484D+02  0.707852D+01  0.795852D+00  0.426235D+01  0.302020D+01
      5   0.471773D+00 -0.271313D-01 -0.860536D+00  0.103095D+02  0.270768D+00
      6  -0.789885D+00 -0.545398D+00  0.715257D+00  0.306237D+01  0.795515D+00
                81            82            83            84            85 
      1   0.661951D+01  0.473904D+01  0.158376D+02  0.501590D+01 -0.205690D+01
      2  -0.542114D+01 -0.537588D+01 -0.116169D+02 -0.174866D+01  0.108338D+02
      3  -0.119838D+01  0.636841D+00 -0.422066D+01 -0.326724D+01 -0.877693D+01
      4   0.128561D+01  0.924370D+01 -0.103375D+02  0.522370D+00  0.485944D+01
      5   0.457443D+00  0.228610D+01  0.255136D+00 -0.122636D+01  0.180499D+01
      6   0.782472D+00  0.334325D+01 -0.343832D+01 -0.429341D+01  0.535853D+01
                86            87            88            89            90 
      1   0.485284D+01  0.269495D+01  0.807463D+00  0.511055D+01 -0.141880D+02
      2  -0.924627D+01 -0.208463D+01  0.231294D+01 -0.631901D+01  0.208119D+01
      3   0.439344D+01 -0.610320D+00 -0.312040D+01  0.120846D+01  0.121069D+02
      4   0.148435D+02  0.204789D+01  0.118553D+01 -0.150530D+01  0.317295D+01
      5   0.198240D+01  0.102885D+01  0.417358D+01  0.301218D+01 -0.178075D+01
      6  -0.357220D+01  0.578770D+01 -0.308464D+01  0.138725D+02  0.472407D+00
                91            92            93            94            95 
      1   0.412439D+01 -0.219214D+02 -0.238543D+01  0.227651D+02  0.110216D+02
      2  -0.403670D+01  0.147440D+02  0.122890D+01 -0.211421D+02 -0.145999D+02
      3  -0.876925D-01  0.717734D+01  0.115653D+01 -0.162292D+01  0.357830D+01
      4  -0.138136D+02 -0.676725D+01 -0.554181D+01  0.660593D+01 -0.539113D+01
      5  -0.440382D+01 -0.512779D+01 -0.422224D+00 -0.488475D+00 -0.525794D+01
      6  -0.570612D+01 -0.176609D+01  0.349701D+01 -0.419630D+01 -0.859214D+01
                96            97            98            99           100 
      1   0.236688D+01  0.226866D+01 -0.315437D+01 -0.442699D+01 -0.130146D+02
      2  -0.521056D+01 -0.603361D+01 -0.469759D+01 -0.530425D+01  0.845854D+01
      3   0.284368D+01  0.376496D+01  0.785196D+01  0.973123D+01  0.455609D+01
      4  -0.498957D+01 -0.527604D+01 -0.914806D+01  0.134364D+02 -0.160946D+01
      5   0.974292D+01  0.125244D+02  0.142046D+02  0.681238D+01 -0.787271D+01
      6   0.383771D+01  0.587127D+01  0.130554D+02  0.248417D+01  0.100239D+01
               101           102           103           104           105 
      1  -0.682239D+00 -0.651898D+01  0.385527D+01 -0.227453D+02 -0.618910D+01
      2   0.482376D+00  0.385219D+01 -0.221108D+01  0.194166D+02  0.782103D+01
      3   0.199863D+00  0.266679D+01 -0.164419D+01  0.332868D+01 -0.163194D+01
      4   0.214470D+02  0.101452D+01 -0.204163D+02 -0.651035D+01 -0.365657D+01
      5   0.901902D+00  0.143452D+02 -0.942659D+01 -0.268006D+01 -0.126973D+01
      6   0.787535D+00  0.112701D+01 -0.309132D+01  0.339188D+01 -0.281318D+01
               106           107           108           109           110 
      1  -0.914108D+01 -0.643036D+01  0.124484D+02  0.359039D+01  0.227928D+02
      2   0.359633D+01  0.563247D+01 -0.168763D+02 -0.587588D+01 -0.140044D+02
      3   0.554476D+01  0.797889D+00  0.442789D+01  0.228549D+01 -0.878835D+01
      4  -0.102203D+02  0.479680D+00 -0.778899D+00  0.200872D+02  0.955434D+00
      5   0.327757D+02  0.290000D+00  0.504430D+01  0.656541D+00  0.363495D+01
      6   0.200963D+00  0.456800D+01 -0.269663D+01  0.238469D+01 -0.301165D+01
               111           112           113           114           115 
      1   0.476065D+01 -0.223718D+02  0.758104D+01  0.121755D+01 -0.649649D+01
      2  -0.657555D+00  0.219499D+02 -0.123602D+02 -0.120220D+01  0.756648D+01
      3  -0.410310D+01  0.421870D+00  0.477912D+01 -0.153500D-01 -0.106999D+01
      4   0.409688D+01  0.532938D+01  0.129865D+02  0.776865D+01  0.196989D+01
      5   0.507923D+01 -0.332558D+01  0.699144D+01 -0.901527D+01  0.166357D+02
      6  -0.505209D+01  0.594334D+01 -0.529549D+01  0.473479D+01 -0.686855D+01
               116           117           118           119           120 
      1   0.612767D+01  0.656799D+00  0.595805D+01 -0.137790D+02 -0.158253D+00
      2  -0.841324D+01 -0.641615D+01 -0.540861D+01  0.114558D+02 -0.374775D+00
      3   0.228558D+01  0.575935D+01 -0.549445D+00  0.232312D+01  0.533028D+00
      4   0.761436D+01 -0.131658D+02 -0.130180D+02 -0.167924D+02 -0.381037D+01
      5  -0.137727D+02 -0.583487D+01 -0.650206D+00 -0.360416D+01 -0.377099D+01
      6   0.122836D+02 -0.216611D+01 -0.326382D+01 -0.162489D+01  0.358624D+01
               121           122           123           124           125 
      1   0.156812D+01  0.904542D+01  0.494876D+01  0.181994D+01  0.220116D+01
      2  -0.906535D+01 -0.119484D+02 -0.610205D+01 -0.419615D+01 -0.703681D+01
      3   0.749724D+01  0.290302D+01  0.115329D+01  0.237621D+01  0.483565D+01
      4   0.117540D+02 -0.122591D+02 -0.129887D+01  0.401903D-01 -0.430035D+01
      5   0.674711D+00 -0.138407D+01 -0.156433D+01  0.667067D+00 -0.463752D+01
      6  -0.455647D+01 -0.908502D+01  0.301451D+01  0.329400D+01  0.119328D+02
               126           127           128           129           130 
      1  -0.146217D+02 -0.463437D+01  0.762507D+01  0.321789D+00  0.832158D+01
      2  -0.258493D+00  0.692119D+01 -0.105808D+02 -0.322379D+00 -0.115139D+02
      3   0.148802D+02 -0.228682D+01  0.295571D+01  0.590483D-03  0.319233D+01
      4  -0.604665D+01 -0.749617D+01  0.761013D+01  0.709209D+00  0.731383D+01
      5  -0.573256D+01 -0.522862D+00  0.854702D+00  0.751725D+00  0.821684D+00
      6   0.523607D+01  0.169185D-01 -0.121409D+00 -0.217475D+01 -0.105532D+01
               131           132           133           134           135 
      1  -0.249818D+02 -0.200334D+01  0.289292D+00 -0.200067D+01 -0.105501D+01
      2   0.340751D+02  0.156791D+01 -0.711263D+00  0.260763D+01  0.170648D+01
      3  -0.909329D+01  0.435428D+00  0.421970D+00 -0.606957D+00 -0.651461D+00
      4  -0.697815D+01 -0.402408D+00  0.363003D+00  0.550944D-02 -0.167441D+01
      5  -0.932914D+00 -0.860462D+00  0.643661D+00 -0.887787D+00  0.846292D-01
      6   0.250065D+01  0.539124D+01 -0.906331D+00  0.219070D+01  0.666575D+00
               136           137           138           139           140 
      1   0.872883D+01  0.695558D+01  0.131949D+01  0.121061D+01 -0.100138D+02
      2   0.188980D+01  0.418386D+01 -0.138422D+00  0.102730D+02  0.310748D+02
      3  -0.106186D+02 -0.111394D+02 -0.118107D+01 -0.114836D+02 -0.210610D+02
      4   0.227032D+02  0.255628D+02  0.515957D+01  0.268882D+02  0.470759D+02
      5   0.487458D+01  0.503323D+01  0.520713D+01  0.496161D+01  0.792102D+01
      6   0.347985D+01  0.383183D+01  0.340901D+01  0.486610D+01  0.102640D+02
               141           142           143           144           145 
      1  -0.212092D+01  0.992606D+00 -0.126302D+01 -0.122125D+01  0.997990D+02
      2   0.364052D+01  0.127761D+01  0.458465D+01  0.252109D+01 -0.574833D+02
      3  -0.151960D+01 -0.227022D+01 -0.332163D+01 -0.129984D+01 -0.423156D+02
      4   0.829784D+01  0.645301D+01  0.100284D+02  0.426743D+01  0.349300D+01
      5   0.643331D+01  0.257590D+01  0.353713D+01  0.240459D+01  0.121949D+02
      6   0.826844D+01  0.248090D+01  0.502391D+01  0.295995D+01 -0.202800D+01
               146           147           148           149           150 
      1   0.288740D+01  0.797886D+01  0.157847D+01  0.956356D+01  0.112901D+01
      2  -0.145162D+01 -0.565092D+01 -0.726244D+00 -0.471996D+01 -0.972905D+00
      3  -0.143579D+01 -0.232794D+01 -0.852225D+00 -0.484360D+01 -0.156105D+00
      4   0.851968D+01 -0.881233D-01  0.149014D+02  0.109687D+01  0.146048D+01
      5  -0.120766D-01  0.117737D+02  0.227606D+01  0.154995D+01  0.561568D+00
      6   0.585406D+00 -0.316987D-01  0.108700D+01 -0.138843D+00  0.142622D+01
               151           152           153           154           155 
      1   0.102960D+02  0.134719D+01  0.483009D+01  0.155470D+02 -0.105203D+02
      2  -0.626816D+01 -0.833984D+00 -0.314205D+01 -0.576873D+00 -0.320500D+01
      3  -0.402781D+01 -0.513207D+00 -0.168805D+01 -0.149701D+02  0.137253D+02
      4   0.241742D+01  0.118985D+01  0.401087D+00 -0.288817D+02  0.292802D+02
      5   0.512944D+01  0.238663D+00  0.269846D+01 -0.352117D+01  0.263939D+01
      6  -0.292308D-01  0.712040D+00  0.265135D+00  0.116966D+01 -0.888979D+00
               156           157           158           159           160 
      1  -0.139539D+01 -0.564558D+01 -0.170893D+01  0.822079D-01  0.252658D+00
      2   0.417572D+00 -0.877661D+01  0.234557D+02  0.105028D+01 -0.141109D+01
      3   0.977816D+00  0.144222D+02 -0.217468D+02 -0.113249D+01  0.115843D+01
      4   0.249993D+01  0.319182D+02 -0.472149D+02 -0.530604D+01  0.356821D+01
      5   0.509897D+01  0.457698D+01 -0.592639D+01 -0.592661D+01  0.233673D+01
      6  -0.304335D+01 -0.279247D+01  0.443067D+01  0.627795D+01 -0.192815D+01
               161           162           163           164           165 
      1  -0.963767D+00 -0.540161D+00 -0.502563D+01 -0.758781D+01 -0.275215D+01
      2   0.275545D+01  0.172528D+01  0.641516D+01  0.894175D+01  0.169791D+01
      3  -0.179168D+01 -0.118512D+01 -0.138953D+01 -0.135394D+01  0.105424D+01
      4  -0.559462D+01 -0.362526D+01  0.550637D+01  0.734394D+01  0.126144D+01
      5  -0.263363D+01 -0.132853D+01  0.404211D+00  0.894283D+00  0.144280D+01
      6   0.335304D+01  0.167029D+01  0.264950D+01  0.387019D+01  0.291989D+01
               166           167           168           169           170 
      1  -0.797686D+01 -0.283411D+02 -0.711185D+01 -0.244639D+01 -0.673067D+01
      2   0.101571D+02  0.364408D+02  0.624083D+01  0.259061D+01  0.733985D+01
      3  -0.218020D+01 -0.809966D+01  0.871024D+00 -0.144215D+00 -0.609178D+00
      4   0.607116D+01  0.227240D+01  0.115597D+00  0.135667D+01  0.935019D+00
      5   0.718140D+00 -0.539610D+00  0.212516D+00  0.119730D+01  0.728122D+00
      6   0.338187D+01  0.114224D+02  0.821270D+01  0.156833D+01  0.486608D+01
               171 
      1  -0.311594D+01
      2   0.320455D+01
      3  -0.886124D-01
      4   0.203244D+01
      5   0.984237D+00
      6   0.340539D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.590086D+00      0.149985D+01      0.500296D+01
   x          0.104766D+00      0.266287D+00      0.888239D+00
   y         -0.325935D+00     -0.828443D+00     -0.276339D+01
   z          0.480616D+00      0.122160D+01      0.407484D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.945463D+02      0.140103D+02      0.155886D+02
   aniso      0.497710D+02      0.737530D+01      0.820613D+01
   xx         0.119506D+03      0.177089D+02      0.197038D+02
   yx         0.175632D+01      0.260260D+00      0.289578D+00
   yy         0.999482D+02      0.148108D+02      0.164792D+02
   zx         0.210176D+01      0.311449D+00      0.346533D+00
   zy         0.558917D+01      0.828229D+00      0.921529D+00
   zz         0.641851D+02      0.951125D+01      0.105827D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.998801D+02      0.148007D+02      0.164680D+02
   aniso      0.505735D+02      0.749422D+01      0.833845D+01
   xx         0.125723D+03      0.186303D+02      0.207290D+02
   yx         0.143587D+01      0.212773D+00      0.236742D+00
   yy         0.104748D+03      0.155221D+02      0.172706D+02
   zx         0.217056D+01      0.321643D+00      0.357876D+00
   zy         0.533162D+01      0.790065D+00      0.879066D+00
   zz         0.691692D+02      0.102498D+02      0.114045D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8         -3.99775529          1.19432156         -2.54785024
     6         -2.96411114         -0.74215330         -0.99283232
     1         -4.33250321          2.65268076         -1.50763863
     1         -3.05181771         -2.43675144         -2.17197577
     6         -4.60802811         -1.14637770          1.34515575
     6         -0.21358665         -0.27789808         -0.30537431
     1         -4.57418160          0.54216472          2.53648181
     1         -3.93046465         -2.72329608          2.48364071
     1         -6.55299941         -1.52640729          0.78048593
     6          1.00404160          1.96899421         -0.92199656
     6          3.51352111          2.36602440         -0.24278496
     6          4.84530803          0.51215967          1.04811616
     6          3.65296374         -1.75294723          1.64806687
     6          1.14840725         -2.13905386          0.97664321
     1         -0.00106860          3.39868869         -1.97952751
     1          4.42917452          4.12679065         -0.74015040
     1          6.79874916          0.81798480          1.57093540
     1          4.67862371         -3.22149310          2.63647280
     1          0.24742690         -3.91743790          1.44411145

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.590086D+00      0.149985D+01      0.500296D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.590086D+00      0.149985D+01      0.500296D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.945463D+02      0.140103D+02      0.155886D+02
   aniso      0.497710D+02      0.737530D+01      0.820613D+01
   xx         0.117051D+03      0.173451D+02      0.192991D+02
   yx         0.644850D+01      0.955570D+00      0.106321D+01
   yy         0.945139D+02      0.140055D+02      0.155832D+02
   zx         0.100571D+02      0.149031D+01      0.165820D+01
   zy        -0.133143D+02     -0.197297D+01     -0.219522D+01
   zz         0.720744D+02      0.106803D+02      0.118835D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.998801D+02      0.148007D+02      0.164680D+02
   aniso      0.505735D+02      0.749422D+01      0.833845D+01
   xx         0.123172D+03      0.182522D+02      0.203083D+02
   yx         0.630988D+01      0.935027D+00      0.104036D+01
   yy         0.991127D+02      0.146870D+02      0.163415D+02
   zx         0.104650D+02      0.155075D+01      0.172544D+01
   zy        -0.133417D+02     -0.197703D+01     -0.219975D+01
   zz         0.773556D+02      0.114629D+02      0.127542D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-K14-08-02\Freq\RM11\Gen\C8H10O1\PIERPA\13-Aug-2021\0\\#P 
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 OF ALL THE WONDERS OF THE UNIVERSE, THE GREATEST IS MAN.

                                    -- ARISTOTLE
 Job cpu time:       0 days  4 hours  7 minutes  5.9 seconds.
 Elapsed time:       0 days  0 hours 31 minutes  9.5 seconds.
 File lengths (MBytes):  RWF=    259 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 11:38:48 2021.
